Profiles

Brian Yates

Professor Brian Yates

Brian Yates

Executive Dean
College of Sciences and Engineering

Centenary Building , Sandy Bay Campus

+61 3 6226 2412 (phone)

Brian.Yates@utas.edu.au

Professor Brian Yates is the Executive Dean of College of Sciences and Engineering. He has an international reputation for research in computational chemistry, and is a highly commended teacher.

Biography

Professor Brian Yates was appointed as the Dean of the Faculty of Science, Engineering and Technology at the University of Tasmania in July 2015.

Professor Yates is a researcher with an international reputation for computational chemistry, and a highly commended teacher.

He was an Executive Director (Engineering, Mathematical and Information Sciences) at the Australian Research Council from 2013 to 2015. In this role, Professor Yates helped to develop new initiatives within the ARC to support research excellence in Australia, as well as overseeing grant awarding processes and a major information technology development project.

A University of Tasmania alumnus, Professor Yates was Head of Chemistry from 2006-2010 and also had a University-wide role as Deputy Chair of Academic Senate (2011-2012). In 2006 he was honoured with the Carrick National Teaching Award for the Physical Sciences and in 2010 he was awarded the Vice-Chancellor's Individual Citation for Outstanding Contribution to Student Learning. In 2010-2011 he led a national project with Professor Sue Jones (as ALTC Discipline Scholars in Science) to develop threshold learning outcomes for undergraduate degrees in science.

Professor Yates has returned to the University of Tasmania with a vision for the College of Sciences and Engineering, which will see it building on its own strengths in research and teaching. Just as importantly, he understands the vital connectedness between the University and the state of Tasmania.

Career summary

Qualifications

Degree	Thesis Title	University	Country	Awarded
PhD	A theoretical approach to gas-phase ion chemistry	Australian National University	Australia	1987
BSc (1st Class Hons)	Synthetic studies based on tetrahydrothieno[3,2 c]pyridines	University of Tasmania	Australia	1982
DipEd		University of Tasmania	Australia	1983

Memberships

Professional practice

Royal Australian Chemical Institute
American Chemical Society

Teaching

Physical Chemistry, Computational Chemistry, Organic Chemistry, First-year (Freshman) Chemistry

Teaching expertise

In 2010, Brian was appointed a national ALTC Discipline Scholar in Science (with Professor Susan Jones from UTAS) to help develop academic standards for science education at universities across Australia. In this role, he was instrumental in encouraging the science higher education community to think about strategic change in the curriculum for science degrees. The academic standards that they developed were endorsed by the Australian Council of Deans of Science in June 2011 and a number of strategies have since been developed to help implement the framework. Their threshold learning outcomes helped to inform discussions about academic standards in the higher education sector.

Teaching responsibility

KRA255 - Chemistry 2B Inorganic and Physical

Research Appointments

Executive Director Australian Research Council

Research Invitations

N₂O activation by a vanadium(III) complex, Pacifichem 2015
The protodeauration step in gold(I)-catalysed organic reactions, Pacifichem 2015

View more on Professor Brian Yates in WARP

Expertise

Computational chemistry
Theoretical chemistry
Quantum chemistry
Organometallic chemistry
Reaction mechanisms
Catalysis

Research Themes

Brian's research aligns to the University's research theme of Environment, Resources and Sustainability. Brian uses computational chemistry to investigate reactions used in catalysis and synthesis of chemical compounds. His research group calculates the structures and energies of molecules, reactive intermediates, and transition structures, as a way of investigating chemical reaction mechanisms and understanding and predicting experimental results. The levels of theory used in his research range from the simple (molecular mechanics) to the sophisticated (quantum chemistry). Some of his research may be carried out on PCs while other studies require the use of advanced supercomputers. Recent work involves developing an understanding of the importance of different electronic states in the mechanisms for the activation of dinitrogen and other small molecules, and the elucidation of mechanisms of reductive elimination from high oxidation state bimetallic systems.

Collaboration

Brian is currently working with two national projects which involve the study of small molecule activation and chemical catalysis. These projects involve partnerships with two other Australian universities, as well as several universities in Europe and North America.

Awards

Australian Research Council Research Fellowship
Royal Society of Tasmania RM Banks Award

Current projects

Project 1: Computational chemistry is being used by us to design highly-tuned chemical systems for specific manipulation of nitrogen, carbon monoxide, carbon dioxide and other small molecules which are important in industry and the environment. This project involves the careful study of various combinations of metals, oxidation states and ligands in order to predict the best catalysts for the breakdown of greenhouse gases.

Project 2: In collaboration with other staff in Chemistry, they are using quantum chemistry to study the structures and energies of reactive organometallic structures and to determine the important electronic and steric factors in a variety of reactions.

Fields of Research

Organometallic chemistry (340209)
Transition metal chemistry (340211)
Theoretical and computational chemistry (340799)
Theoretical quantum chemistry (340704)
Physical organic chemistry (340505)
Catalysis and mechanisms of reactions (340601)
F-block chemistry (340203)
Other chemical sciences (349999)
Medicinal and biomolecular chemistry (340499)
Organic chemical synthesis (340503)
Science, technology and engineering curriculum and pedagogy (390113)
Higher education (390303)
Main group metal chemistry (340205)
Other education (399999)
Colloid and surface chemistry (340603)
Structure and dynamics of materials (340307)
Free radical chemistry (340501)
Chemical thermodynamics and energetics (340602)
Curriculum and pedagogy theory and development (390102)
Inorganic chemistry (340299)
Palaeoclimatology (370904)
Reaction kinetics and dynamics (340607)
Other earth sciences (379999)
Bacteriology (310701)
Bioinorganic chemistry (340201)
Electrochemistry (340604)
Medical biotechnology (320699)
Microbiology (310799)
Oceanography (370899)
Glaciology (370902)
Information retrieval and web search (460508)
Ship and platform structures (incl. maritime hydrodynamics) (401504)
Gene expression (incl. microarray and other genome-wide approaches) (310505)
Electroanalytical chemistry (340103)
Separation science (340109)
Theory and design of materials (340309)
Timber, pulp and paper (401610)
Medical biochemistry - proteins and peptides (incl. medical proteomics) (320506)

Research Objectives

Expanding knowledge in the chemical sciences (280105)
Organic industrial chemicals (excl. resins, rubber and plastics) (240908)
Wood, wood products and paper (241799)
Learner and learning (160199)
Other education and training (169999)
Industrial chemicals and related products (240999)
Paper products and pulp (241701)
Teaching and curriculum (160399)
Food safety (200405)
Human diagnostics (240802)
Assessment, development and evaluation of curriculum (160301)
Social impacts of climate change and variability (190103)
Clinical health (200199)
Teacher and instructor development (160303)
Inorganic industrial chemicals (240906)
Rubber (240912)
Air quality, atmosphere and weather (180199)
Dairy cattle (100402)
Diagnosis of human diseases and conditions (200101)
Health education and promotion (200203)
Environmentally sustainable manufacturing activities (240699)
Human pharmaceutical treatments (240803)
Climate change adaptation measures (excl. ecosystem) (190101)
Climate variability (excl. social impacts) (190502)
Management of Antarctic and Southern Ocean environments (180499)
Other plant production and plant primary products (269999)
Nautical equipment (241503)
Human pharmaceutical products (240899)
Plastics (240910)
Wood sawing and veneer (241705)
Primary mining and extraction of minerals (250499)
Management of greenhouse gas emissions from manufacturing activities (190308)
Printing and publishing processes (241702)

Publications

Amongst Brian's notable papers to date, there have been key articles in international journals which have described the discovery of a new class of gas-phase ions, the very detailed high-level study of the dissociation mechanism of triplet formaldehyde, the elucidation of the factors involved in the mechanisms of the Stevens and Sommelet-Hauser processes, the discovery of new intermediates in a carbonylation reaction, the investigation of the in situ formation of catalysts in ionic liquids, the comprehensive study of the factors affecting reductive elimination of novel carbene ligands, a remarkably accurate calculation of the pKa of carbenes in dimethylsulfoxide, and an extensive series of studies of the activation of small multiply-bonded molecules.

Total publications

232

Highlighted publications

(10 outputs)

Year	Type	Citation
2013	Journal Article	Ariafard A, Ghohe NM, Abbasi KK, Canty AJ, Yates BF, 'Theoretical investigation into the mechanism of 3'-dGMP oxidation by [Pt^IVCl₄(dach)]', Inorganic Chemistry, 52, (2) pp. 707-717. ISSN 0020-1669 (2013) [Refereed Article] DOI: 10.1021/ic3018425 [eCite] [Details] Citations: Scopus - 28Web of Science - 28 Co-authors: Ariafard A; Canty AJ Tweet
2013	Journal Article	Canty AJ, Ariafard A, Sanford MS, Yates BF, 'Mechanism of Pd-catalyzed Ar-Ar bond formation involving ligand-directed C-H arylation and diaryliodonium oxidants: computational studies of orthopalladation at binuclear Pd(II) centers, oxidation to form binuclear palladium(III) species, and Ar Ar reductive coupling', Organometallics, 32, (2) pp. 544-555. ISSN 0276-7333 (2013) [Refereed Article] DOI: 10.1021/om301013w [eCite] [Details] Citations: Scopus - 46Web of Science - 46 Co-authors: Canty AJ; Ariafard A Tweet
2013	Journal Article	Ichiishi N, Canty AJ, Yates BF, Sanford MS, 'Cu-catalyzed fluorination of diaryliodonium salts with KF', Organic Letters, 15, (19) pp. 5134-5137. ISSN 1523-7060 (2013) [Refereed Article] DOI: 10.1021/ol4025716 [eCite] [Details] Citations: Scopus - 127Web of Science - 119 Co-authors: Canty AJ Tweet
2012	Journal Article	Powers DC, Lee E, Ariafard A, Sanford MS, Yates BF, et al., 'Connecting binuclear Pd(III) and mononuclear Pd(IV) chemistry by Pd-Pd bond cleavage', Journal of the American Chemical Society, 134, (29) pp. 12002-12009. ISSN 0002-7863 (2012) [Refereed Article] DOI: 10.1021/ja304401u [eCite] [Details] Citations: Scopus - 125Web of Science - 126 Co-authors: Ariafard A; Canty AJ Tweet
2011	Journal Article	Ariafard A, Brookes NJ, Stranger R, Yates BF, 'DFT Study on the Mechanism of the Activation and Cleavage of CO₂ by (NHC)CuEPh₃ (E = Si, Ge, Sn)', Organometallics, 30, (6) pp. 1340-1349. ISSN 0276-7333 (2011) [Refereed Article] DOI: 10.1021/om100730h [eCite] [Details] Citations: Scopus - 62Web of Science - 61 Co-authors: Ariafard A; Brookes NJ Tweet
2009	Journal Article	Ariafard A, Yates BF, 'Subtle Balance of Ligand Steric Effects in Stille Transmetalation', Journal of the American Chemical Society, 131, (39) pp. 13981-13991. ISSN 0002-7863 (2009) [Refereed Article] DOI: 10.1021/ja9007134 [eCite] [Details] Citations: Scopus - 60Web of Science - 59 Co-authors: Ariafard A Tweet
2004	Journal Article	Magill AM, Cavell KJ, Yates BF, 'Basicity of Nucleophilic Carbenes in Aqueous and Nonaqueous Solvents - Theoretical Predictions', Journal of the American Chemical Society, 126, (28) pp. 8717-8724. ISSN 0002-7863 (2004) [Refereed Article] DOI: 10.1021/ja038973x [eCite] [Details] Citations: Scopus - 391Web of Science - 386 Co-authors: Magill AM; Cavell KJ Tweet
2001	Journal Article	McGuinness DS, Cavell KJ, Yates BF, 'Unprecedented C-H bond oxidative addition of the imidazolium cation to Pt-0: a combined density functional analysis and experimental study', Chemical Communications, (4) pp. 355-356. ISSN 1359-7345 (2001) [Refereed Article] DOI: 10.1039/b009674l [eCite] [Details] Citations: Web of Science - 118 Co-authors: McGuinness DS; Cavell KJ Tweet
2001	Journal Article	McGuinness DS, Cavell KJ, Yates BF, Skelton BW, White AH, 'Oxidative Addition of the Imidazolium Cation to Zerovalent Ni, Pd, and Pt: A Combined Density Functional and Experimental Study', Journal of the American Chemical Society, 123, (34) pp. 8317-8328. ISSN 0002-7863 (2001) [Refereed Article] DOI: 10.1021/ja010628p [eCite] [Details] Citations: Scopus - 224Web of Science - 216 Co-authors: McGuinness DS; Cavell KJ Tweet
2001	Journal Article	McGuinness DS, Saendig NS, Yates BF, Cavell KJ, 'Kinetic and Density Functional Studies on Alkyl-Carbene Elimination from Pd^II Heterocyclic Carbene Complexes: A New Type of Reductive Elimination with Clear Implications for Catalysis', Journal of the American Chemical Society, 123, (17) pp. 4029-4040. ISSN 0002-7863 (2001) [Refereed Article] DOI: 10.1021/ja003861g [eCite] [Details] Citations: Scopus - 236Web of Science - 228 Co-authors: McGuinness DS; Cavell KJ Tweet

Journal Article

(156 outputs)

Year	Citation	Altmetrics
2021	Dasgupta A, Stefkova K, Babaahmadi R, Yates BF, Buurma N, et al., 'Site-selective C_sp³-C_sp/C_sp³-C_sp² cross-coupling reactions using frustrated Lewis pairs', Journal of the American Chemical Society, 143, (11) pp. 4451-4464. ISSN 0002-7863 (2021) [Refereed Article] DOI: 10.1021/jacs.1c01622 [eCite] [Details] Citations: Scopus - 2Web of Science - 2 Co-authors: Babaahmadi R; Ariafard A Tweet
2021	Jalali M, Bissember AC, Yates BF, Wengryniuk SE, Ariafard A, 'Oxidation of electron-deficient phenols mediated by hypervalent iodine(V) reagents: fundamental mechanistic features revealed by a density functional theory-based investigation', Journal of Organic Chemistry, 86, (17) pp. 12237-12246. ISSN 0022-3263 (2021) [Refereed Article] DOI: 10.1021/acs.joc.1c01545 [eCite] [Details] Co-authors: Bissember AC; Ariafard A Tweet
2021	Jalali M, Hyland CJT, Bissember AC, Yates BF, Ariafard A, 'Hydroalkylation of alkenes with 1,3-diketones via gold(III) or silver(I) catalysis: divergent mechanistic pathways revealed by a DFT-based investigation', ACS Catalysis, 11, (9) pp. 5795-5807. ISSN 2155-5435 (2021) [Refereed Article] DOI: 10.1021/acscatal.0c05260 [eCite] [Details] Co-authors: Bissember AC; Ariafard A Tweet
2020	Babaahmadi R, Jalali M, Smith JA, Yates BF, Ariafard A, 'How a bismuth(III) catalyst achieves greatest activation of organic Lewis bases in a catalytic reaction: insights from DFT calculations', ChemCatChem, 13, (3) pp. 975-980. ISSN 1867-3899 (2020) [Refereed Article] DOI: 10.1002/cctc.202001688 [eCite] [Details] Citations: Scopus - 1Web of Science - 1 Co-authors: Babaahmadi R; Smith JA; Ariafard A Tweet
2020	Dasgupta A, Babaahmadi R, Slater B, Yates BF, Ariafard A, et al., 'Borane-catalyzed stereoselective C-H Insertion, cyclopropanation, and ring-opening reactions', Chem, 6, (9) pp. 2364-2381. ISSN 2451-9308 (2020) [Refereed Article] DOI: 10.1016/j.chempr.2020.06.035 [eCite] [Details] Citations: Scopus - 19Web of Science - 19 Co-authors: Babaahmadi R; Ariafard A Tweet
2019	Asgari M, Hyland CJT, Hashmi ASK, Yates BF, Ariafard A, 'Proton supplier role of binuclear gold complexes in promoting hydrofunctionalisation of nonactivated alkenes', Catalysis Science & Technology, 9 pp. 1420-1426. ISSN 2044-4753 (2019) [Refereed Article] DOI: 10.1039/c8cy02482k [eCite] [Details] Citations: Scopus - 6Web of Science - 8 Co-authors: Ariafard A Tweet
2019	Chipman A, Farshadfar K, Smith JA, Yates BF, Ariafard A, 'DFT-based comparison between mechanistic aspects of amine and alcohol oxidation mediated by IBX', Journal of Organic Chemistry, 85, (2) pp. 515-525. ISSN 0022-3263 (2019) [Refereed Article] DOI: 10.1021/acs.joc.9b02583 [eCite] [Details] Citations: Scopus - 4Web of Science - 4 Co-authors: Chipman A; Smith JA; Ariafard A Tweet
2019	Farshadfar K, Chipman A, Hosseini M, Yates BF, Ariafard A, 'A modified cationic mechanism for PdCl₂-catalyzed transformation of a homoallylic alcohol to an allyl ether', Organometallics, 38, (15) pp. 2953-2962. ISSN 0276-7333 (2019) [Refereed Article] DOI: 10.1021/acs.organomet.9b00276 [eCite] [Details] Citations: Scopus - 5Web of Science - 5 Co-authors: Chipman A; Ariafard A Tweet
2019	Farshadfar K, Chipman A, Yates BF, Ariafard A, 'DFT Mechanistic Investigation into BF₃-Catalyzed Alcohol Oxidation by a Hypervalent Iodine(III) Compound', ACS Catalysis, 9, (7) pp. 6510-6521. ISSN 2155-5435 (2019) [Refereed Article] DOI: 10.1021/acscatal.9b01599 [eCite] [Details] Citations: Scopus - 13Web of Science - 13 Co-authors: Chipman A; Ariafard A Tweet
2019	Roohzadeh R, Nasiri B, Chipman A, Yates BF, Ariafard A, 'Disclosure of some obscure mechanistic aspects of the copper-catalyzed click reactions involving N₂ elimination promoted by the use of electron-deficient azides from a DFT perspective', Organometallics, 38, (2) pp. 256-267. ISSN 0276-7333 (2019) [Refereed Article] DOI: 10.1021/acs.organomet.8b00691 [eCite] [Details] Citations: Scopus - 7Web of Science - 7 Co-authors: Chipman A; Ariafard A Tweet
2019	Tabatabaie ES, Dehghanpour S, Mosaddegh E, Babaahmadi R, Chipman A, et al., 'Rationale for the reactivity differences between main group and d⁰ transition metal complexes toward olefin polymerisation', Dalton Transactions, 48, (20) pp. 6997-7005. ISSN 1477-9226 (2019) [Refereed Article] DOI: 10.1039/c9dt01017c [eCite] [Details] Citations: Scopus - 1 Co-authors: Babaahmadi R; Chipman A; Ariafard A Tweet
2019	Tavakkolifard S, Sekine K, Reichert L, Ebrahimi M, Museridz K, et al., 'Gold-catalyzed regiospecific annulation of unsymmetrically substituted 1,5-diynes for the precise synthesis of bispentalenes', Chemistry: A European Journal, 25, (52) pp. 12180-12186. ISSN 0947-6539 (2019) [Refereed Article] DOI: 10.1002/chem.201902381 [eCite] [Details] Citations: Scopus - 12Web of Science - 12 Co-authors: Babaahmadi R; Ariafard A Tweet
2019	Zamani F, Babaahmadi R, Yates BF, Gardiner MG, Ariafard A, et al., 'Dual gold‐catalyzed cycloaromatization of unconjugated (E)‐enediynes', Angewandte Chemie, 58, (7) pp. 2114 -2119. ISSN 0044-8249 (2019) [Refereed Article] DOI: 10.1002/anie.201810794 [eCite] [Details] Citations: Scopus - 17Web of Science - 18 Co-authors: Babaahmadi R; Gardiner MG; Ariafard A Tweet
2018	Chipman A, Gouranourimi A, Farshadfar K, Olding A, Yates BF, et al., 'A computational mechanistic investigation into reduction of gold(III) complexes by amino acid glycine: a new variant for amine oxidation', Chemistry, 24, (33) pp. 8361-8368. ISSN 1521-3765 (2018) [Refereed Article] DOI: 10.1002/chem.201800403 [eCite] [Details] Citations: Scopus - 8Web of Science - 8 Co-authors: Chipman A; Gouranourimi A; Olding A; Ariafard A Tweet
2018	Chipman A, Yates BF, Canty AJ, Ariafard A, 'Reduction of a platinum (IV) prodrug model by sulfur containing biological reductants: computational mechanistic elucidation', Chemical Communications, 54, (74) pp. 10491-10494. ISSN 1359-7345 (2018) [Refereed Article] DOI: 10.1039/c8cc05682j [eCite] [Details] Citations: Scopus - 12Web of Science - 13 Co-authors: Chipman A; Canty AJ; Ariafard A Tweet
2018	Gouranourimi A, Chipman A, Babaahmadi R, Olding A, Yates BF, et al., 'Nazarov cyclisations initiated by DDQ-oxidised pentadienyl ether: a mechanistic investigation from the DFT perspective', Organic & Biomolecular Chemistry, 16, (46) pp. 9021-9029. ISSN 1477-0520 (2018) [Refereed Article] DOI: 10.1039/c8ob02590h [eCite] [Details] Citations: Scopus - 4Web of Science - 4 Co-authors: Gouranourimi A; Chipman A; Babaahmadi R; Olding A; Ariafard A Tweet
2018	Plajer AJ, Ahrens L, Wieteck M, Lustosa DM, Babaahmadi R, et al., 'Different selectivities in the insertions into C(sp²)-H bonds: Benzofulvenes by Dual Gold catalysis competition experiment', Chemistry, 24, (42) pp. 10766-10772. ISSN 1521-3765 (2018) [Refereed Article] DOI: 10.1002/chem.201801031 [eCite] [Details] Citations: Scopus - 18Web of Science - 18 Co-authors: Babaahmadi R; Ariafard A Tweet
2017	Canty AJ, Ariafard A, Camasso NM, Higgs AT, Yates BF, et al., 'Computational study of C(sp³)-O bond formation at a Pd^IV centre', Dalton Transactions, 46, (11) pp. 3742-3748. ISSN 1477-9226 (2017) [Refereed Article] DOI: 10.1039/c7dt00096k [eCite] [Details] Citations: Scopus - 15Web of Science - 15 Co-authors: Canty AJ; Ariafard A Tweet
2017	Khaledifard Y, Nasiri B, Javidy SA, Sereshk AV, Yates BF, et al., 'Phosphine-scavenging role of gold(I) complexes from Pd(P^tBu₃)₂ in the bimetallic catalysis of carbostannylation of alkynes', Organometallics, 36, (10) pp. 2014-2019. ISSN 0276-7333 (2017) [Refereed Article] DOI: 10.1021/acs.organomet.7b00237 [eCite] [Details] Citations: Scopus - 6Web of Science - 5 Co-authors: Ariafard A Tweet
2017	Pflasterer D, Rudolph M, Yates BF, Ariafard A, Hashmi ASK, 'Total synthesis of (±)-dihydroisosubamol', Advanced Synthesis and Catalysis, 359, (5) pp. 866-874. ISSN 1615-4150 (2017) [Refereed Article] DOI: 10.1002/adsc.201600663 [eCite] [Details] Citations: Scopus - 13Web of Science - 14 Co-authors: Ariafard A Tweet
2016	Bagi AH, Khaledi Y, Ghari H, Arndt S, Hashmi ASK, et al., 'A Mechanistic Investigation of the Gold(III)-Catalyzed Hydrofurylation of C-C Multiple Bonds', Journal of the American Chemical Society, 138, (44) pp. 14599-14608. ISSN 0002-7863 (2016) [Refereed Article] DOI: 10.1021/jacs.6b05742 [eCite] [Details] Citations: Scopus - 21Web of Science - 21 Co-authors: Ariafard A Tweet
2016	Canale V, Robinson Jr R, Zavras A, Khairallah GN, d'Alessandro N, et al., 'Two Spin-State Reactivity in the Activation and Cleavage of CO₂ by [ReO₂]^-', Journal of Physical Chemistry Letters, 7, (10) pp. 1934-1938. ISSN 1948-7185 (2016) [Refereed Article] DOI: 10.1021/acs.jpclett.6b00754 [eCite] [Details] Citations: Scopus - 12Web of Science - 12 Co-authors: Robinson Jr R Tweet
2016	Robinson Jr R, Shaw MF, Stranger R, Yates BF, 'Theoretical study of the mechanism for the sequential N-O and N-N bond cleavage within N₂O adducts of N-heterocyclic carbenes by a vanadium(III) complex', Dalton Transactions, 45, (3) pp. 1047-1054. ISSN 1477-9226 (2016) [Refereed Article] DOI: 10.1039/c5dt03600c [eCite] [Details] Citations: Scopus - 6Web of Science - 6 Co-authors: Robinson Jr R; Shaw MF Tweet
2015	Babaahmadi R, Ghanbari P, Rajabi NA, Hashmi ASK, Yates BF, et al., 'A theoretical study on the protodeauration step of the gold(I)-catalyzed organic reactions', Organometallics, 34, (13) pp. 3186-3195. ISSN 0276-7333 (2015) [Refereed Article] DOI: 10.1021/acs.organomet.5b00219 [eCite] [Details] Citations: Scopus - 46Web of Science - 43 Co-authors: Babaahmadi R; Ariafard A Tweet
2015	Canty AJ, Ariafard A, Yates BF, Sanford MS, 'Computational study of intramolecular arene palladation at a palladium(IV) center', Organometallics, 34, (6) pp. 1085-1090. ISSN 0276-7333 (2015) [Refereed Article] DOI: 10.1021/om5013049 [eCite] [Details] Citations: Scopus - 20Web of Science - 20 Co-authors: Canty AJ; Ariafard A Tweet
2015	Robinson Jr R, Abbasi KK, Ariafard A, Stranger R, Yates BF, 'Sulfur dioxide activation: a theoretical investigation into dual S=O bond cleavage by three-coordinate molybdenum(III) complexes', Inorganic Chemistry, 54, (2) pp. 534-543. ISSN 0020-1669 (2015) [Refereed Article] DOI: 10.1021/ic502298j [eCite] [Details] Citations: Scopus - 4Web of Science - 4 Co-authors: Robinson Jr R; Ariafard A Tweet
2015	Vikse KL, Zavras A, Thomas TH, Ariafard A, Khairallah GN, et al., 'Prying open a reactive site for allylic arylation by phosphine-ligated geminally diaurated aryl complexes', Organometallics, 34, (13) pp. 3255-3263. ISSN 0276-7333 (2015) [Refereed Article] DOI: 10.1021/acs.organomet.5b00287 [eCite] [Details] Citations: Scopus - 6Web of Science - 7 Co-authors: Ariafard A; Canty AJ Tweet
2014	Ariafard A, Ghari H, Bagi AH, Canty AJ, Yates BF, 'Theoretical study of the mechanism of CO and acetylene migratory insertions into Pt-Cp* bonds', Organometallics, 33, (9) pp. 2384-2387. ISSN 0276-7333 (2014) [Refereed Article] DOI: 10.1021/om500273x [eCite] [Details] Citations: Scopus - 2Web of Science - 2 Co-authors: Ariafard A; Canty AJ Tweet
2014	Ariafard A, Rajabi NA, Atashgah MJ, Canty AJ, Yates BF, 'Computational study of carbostannylation implicating bimetallic catalysis involving 'Au^I-vinyl-Pd^II' species', ACS Catalysis, 4, (3) pp. 860-869. ISSN 2155-5435 (2014) [Refereed Article] DOI: 10.1021/cs400836v [eCite] [Details] Citations: Scopus - 8Web of Science - 8 Co-authors: Ariafard A; Canty AJ Tweet
2014	Cavigliasso G, Criddle A, Kim H-S, Stranger R, Yates BF, 'On the selective cleavage of nitrous oxide by metal-amide complexes', Dalton Transactions, 43, (12) pp. 4631-4634. ISSN 1477-9226 (2014) [Refereed Article] DOI: 10.1039/c3dt53062k [eCite] [Details] Citations: Scopus - 5Web of Science - 5 Tweet
2014	Ichiishi N, Canty AJ, Yates BF, Sanford MS, 'Mechanistic investigations of Cu-catalyzed fluorination of diaryliodonium salts: elaborating the Cu^I/Cu^II manifold in copper catalysis', Organometallics, 33, (19) pp. 5525-5534. ISSN 0276-7333 (2014) [Refereed Article] DOI: 10.1021/om5007903 [eCite] [Details] Citations: Scopus - 50Web of Science - 49 Co-authors: Canty AJ Tweet
2014	Lotz MD, Remy MS, Lao DB, Ariafard A, Yates BF, et al., 'Formation of ethane from mono-methyl palladium(II) complexes', Journal of the American Chemical Society, 136, (23) pp. 8237-8242. ISSN 0002-7863 (2014) [Refereed Article] DOI: 10.1021/ja412338k [eCite] [Details] Citations: Scopus - 35Web of Science - 32 Co-authors: Ariafard A; Canty AJ Tweet
2014	McGuinness DS, Chan B, Britovsek GJP, Yates BF, 'Ethylene trimerisation with Cr-PNP catalysts: a theoretical benchmarking study and assessment of catalyst oxidation state', Australian Journal of Chemistry, 67, (10) pp. 1481-1490. ISSN 0004-9425 (2014) [Refereed Article] DOI: 10.1071/CH14436 [eCite] [Details] Citations: Scopus - 21Web of Science - 20 Co-authors: McGuinness DS Tweet
2014	Pullen R, Yates BF, Dicinoski GW, 'A preliminary study: an evaluation and redevelopment of current first year laboratory practices', International Journal of Innovation in Science and Mathematics Education, 22, (7) pp. 23-34. ISSN 2200-4270 (2014) [Refereed Article] [eCite] [Details] Citations: Scopus - 3 Co-authors: Pullen R; Dicinoski GW Tweet
2014	Shaw MF, Mahdizadeh Ghohe N, Ariafard A, Brookes NJ, Stranger R, et al., 'NO₂ bond cleavage by MoL₃ complexes', Dalton Transactions, 43, (4) pp. 1620-1629. ISSN 1477-9226 (2014) [Refereed Article] DOI: 10.1039/c3dt52554f [eCite] [Details] Citations: Scopus - 3Web of Science - 3 Co-authors: Shaw MF; Ariafard A; Brookes NJ Tweet
2014	Woolley M, Ariafard A, Khairallah GN, Kwan KH-Y, Donnelly PS, et al., 'Decarboxylative-coupling of allyl acetate catalyzed by group 10 organometallics, [(phen)M(CH₃)]⁺', The Journal of Organic Chemistry, 79, (24) pp. 12056-12069. ISSN 0022-3263 (2014) [Refereed Article] DOI: 10.1021/jo501886w [eCite] [Details] Citations: Scopus - 21Web of Science - 21 Co-authors: Ariafard A; Canty AJ Tweet
2013	Amos RIJ, Gourlay BS, Yates BF, Schiesser CH, Lewis TW, et al., 'Mechanistic investigation of the oxidation of hydrazides: implications for the activation of the TB drug isoniazid', Organic and Biomolecular Chemistry, 11, (1) pp. 170-176. ISSN 1477-0520 (2013) [Refereed Article] DOI: 10.1039/c2ob26419f [eCite] [Details] Citations: Scopus - 14Web of Science - 13 Co-authors: Amos RIJ; Gourlay BS; Lewis TW; Smith JA Tweet
2013	Ariafard A, Ghohe NM, Abbasi KK, Canty AJ, Yates BF, 'Theoretical investigation into the mechanism of 3'-dGMP oxidation by [Pt^IVCl₄(dach)]', Inorganic Chemistry, 52, (2) pp. 707-717. ISSN 0020-1669 (2013) [Refereed Article] DOI: 10.1021/ic3018425 [eCite] [Details] Citations: Scopus - 28Web of Science - 28 Co-authors: Ariafard A; Canty AJ Tweet
2013	Batebi H, Zarkoob F, Daraei K, Yates BF, Ariafard A, 'Understanding the mechanism of Cu^I-catalyzed N-H carboxylation of heterocyclic rings with CO₂ from a theoretical point of view', Journal of Organometallic Chemistry, 748 pp. 89-97. ISSN 0022-328X (2013) [Refereed Article] DOI: 10.1016/j.jorganchem.2013.04.060 [eCite] [Details] Citations: Scopus - 7Web of Science - 5 Co-authors: Ariafard A Tweet
2013	Canty AJ, Ariafard A, Sanford MS, Yates BF, 'Mechanism of Pd-catalyzed Ar-Ar bond formation involving ligand-directed C-H arylation and diaryliodonium oxidants: computational studies of orthopalladation at binuclear Pd(II) centers, oxidation to form binuclear palladium(III) species, and Ar Ar reductive coupling', Organometallics, 32, (2) pp. 544-555. ISSN 0276-7333 (2013) [Refereed Article] DOI: 10.1021/om301013w [eCite] [Details] Citations: Scopus - 46Web of Science - 46 Co-authors: Canty AJ; Ariafard A Tweet
2013	Doddridge EW, Forbes LK, Yates BF, 'Chemical kinetics of a bipalladium complex', Journal of Physical Chemistry A, 117, (3) pp. 541-549. ISSN 1089-5639 (2013) [Refereed Article] DOI: 10.1021/jp310368g [eCite] [Details] Co-authors: Doddridge EW; Forbes LK Tweet
2013	Ghorbani N, Mahdizadeh Ghohe N, Torabi S, Yates BF, Ariafard A, 'Theoretical investigation into the mechanism of ethylene polymerization by a cationic dinuclear aluminum complex: a longstanding unresolved issue', Organometallics, 32, (6) pp. 1687-1693. ISSN 0276-7333 (2013) [Refereed Article] DOI: 10.1021/om3011239 [eCite] [Details] Citations: Scopus - 7Web of Science - 7 Co-authors: Ariafard A Tweet
2013	Ichiishi N, Canty AJ, Yates BF, Sanford MS, 'Cu-catalyzed fluorination of diaryliodonium salts with KF', Organic Letters, 15, (19) pp. 5134-5137. ISSN 1523-7060 (2013) [Refereed Article] DOI: 10.1021/ol4025716 [eCite] [Details] Citations: Scopus - 127Web of Science - 119 Co-authors: Canty AJ Tweet
2013	Robinson Jr R, McGuinness DS, Yates BF, 'The mechanism of ethylene dimerization with the Ti(OR')₄/AIR₃ catalytic system: DFT studies comparing metallacycle and Cossee proposals', ACS Catalysis, 3, (12) pp. 3006-3015. ISSN 2155-5435 (2013) [Refereed Article] DOI: 10.1021/cs4006875 [eCite] [Details] Citations: Scopus - 26Web of Science - 28 Co-authors: Robinson Jr R; McGuinness DS Tweet
2013	Woolley MJ, Khairallah GN, da Silva G, Donnelly PS, Yates BF, et al., 'Role of the metal, ligand, and alkyl/aryl group in the hydrolysis reactions of group 10 organometallic cations [(L)M(R)]⁺', Organometallics, 32, (23) pp. 6931-6944. ISSN 0276-7333 (2013) [Refereed Article] DOI: 10.1021/om400358q [eCite] [Details] Citations: Scopus - 32Web of Science - 32 Tweet
2012	Ariafard A, Asadollah E, Ostadebrahim M, Rajabi NA, Yates BF, 'Theoretical investigation into the mechanism of Au(I)-catalyzed reaction of alcohols with 1,5 enynes', Journal of the American Chemical Society, 134, (40) pp. 16882-16890. ISSN 0002-7863 (2012) [Refereed Article] DOI: 10.1021/ja308038z [eCite] [Details] Citations: Scopus - 35Web of Science - 32 Co-authors: Ariafard A Tweet
2012	Ariafard A, Tabatabaie ES, Aghmasheh S, Najaflo S, Yates BF, 'Density functional theory studies on the oxidation of 5'-dGMP and 5'-dAMP by a platinum(IV) complex', Inorganic Chemistry, 51, (15) pp. 8002-8013. ISSN 0020-1669 (2012) [Refereed Article] DOI: 10.1021/ic300038m [eCite] [Details] Citations: Scopus - 10Web of Science - 10 Co-authors: Ariafard A Tweet
2012	Ariafard A, Tabatabaie ES, Monfared AT, Assar SHA, Hyland CJT, et al., 'Theoretical investigation into the palladium-catalyzed silaboration of pyridines', Organometallics, 31, (5) pp. 1680-1687. ISSN 0276-7333 (2012) [Refereed Article] DOI: 10.1021/om2008106 [eCite] [Details] Citations: Scopus - 13Web of Science - 13 Co-authors: Ariafard A; Hyland CJT Tweet
2012	Cavigliasso G, Stranger R, Yates BF, 'Dinitrogen metal complexes with a strongly activated N-N bond: A computational investigation of [(Cy₂N)₃Nb-(μ-NN)-Nb(NCy₂)₃] and related [Nb-(μ-NN)-Nb] systems', Dalton Transactions, 41, (45) pp. 13948-13959. ISSN 1477-9226 (2012) [Refereed Article] DOI: 10.1039/c2dt31845h [eCite] [Details] Citations: Scopus - 4Web of Science - 4 Tweet
2012	Powers DC, Lee E, Ariafard A, Sanford MS, Yates BF, et al., 'Connecting binuclear Pd(III) and mononuclear Pd(IV) chemistry by Pd-Pd bond cleavage', Journal of the American Chemical Society, 134, (29) pp. 12002-12009. ISSN 0002-7863 (2012) [Refereed Article] DOI: 10.1021/ja304401u [eCite] [Details] Citations: Scopus - 125Web of Science - 126 Co-authors: Ariafard A; Canty AJ Tweet
2012	Rifkin W, Sharma M, Crampton A, Yates B, Matthews K, et al., 'Learning to Lead Change: SaMnet's action-learning projects', Australian Journal of Education in Chemistry, 72 pp. 9-15. ISSN 1445-9698 (2012) [Refereed Article] [eCite] [Details] Co-authors: Jones S Tweet
2012	Rijs NJ, Brookes NJ, O'Hair RAJ, Yates BF, 'Theoretical approaches to estimating homolytic bond dissociation energies of organocopper and organosilver compounds', Journal of Physical Chemistry A, 116, (35) pp. 8910-8917. ISSN 1089-5639 (2012) [Refereed Article] DOI: 10.1021/jp305718z [eCite] [Details] Citations: Scopus - 9Web of Science - 3 Co-authors: Brookes NJ Tweet
2012	Sharma M, Ariafard A, Canty AJ, Yates BF, Gardiner MG, et al., 'Synthetic and computational studies of the palladium(IV) system Pd(alkyl)-(aryl)(alkynyl)(bidentate)(triflate) exhibiting selectivity in C-C reductive elimination', Dalton Transactions, 41, (38) pp. 11820-11828. ISSN 1477-9226 (2012) [Refereed Article] DOI: 10.1039/c2dt31086d [eCite] [Details] Citations: Scopus - 15Web of Science - 16 Co-authors: Sharma M; Ariafard A; Canty AJ; Gardiner MG; Jones RC Tweet
2011	Amos RIJ, Smith JA, Yates BF, Schiesser CH, 'Acyl radical addition to benzene and related systems - a computational study', Tetrahedron, 66, (38) pp. 7600-7604. ISSN 0040-4020 (2011) [Refereed Article] DOI: 10.1016/j.tet.2010.07.041 [eCite] [Details] Citations: Scopus - 4Web of Science - 4 Co-authors: Amos RIJ; Smith JA Tweet
2011	Ariafard A, Brookes NJ, Stranger R, Yates BF, 'DFT Study on the Mechanism of the Activation and Cleavage of CO₂ by (NHC)CuEPh₃ (E = Si, Ge, Sn)', Organometallics, 30, (6) pp. 1340-1349. ISSN 0276-7333 (2011) [Refereed Article] DOI: 10.1021/om100730h [eCite] [Details] Citations: Scopus - 62Web of Science - 61 Co-authors: Ariafard A; Brookes NJ Tweet
2011	Ariafard A, Ejehi Z, Sadrara H, Mehrabi T, Etaati S, et al., 'Insight into the Mechanism of R-R Reductive Elimination from the Six-Coordinate d⁶ Complexes L₂Pt(R)₄ (R = vinyl, Me)', Organometallics, 30, (3) pp. 422-432. ISSN 0276-7333 (2011) [Refereed Article] DOI: 10.1021/om1005512 [eCite] [Details] Citations: Scopus - 25Web of Science - 25 Co-authors: Ariafard A; Brookes NJ Tweet
2011	Ariafard A, Hyland CJT, Canty AJ, Sharma M, Yates BF, 'Theoretical investigation into the mechanism of reductive elimination from bimetallic palladium complexes', Inorganic Chemistry, 50, (14) pp. 6449-6457. ISSN 0020-1669 (2011) [Refereed Article] DOI: 10.1021/ic102323s [eCite] [Details] Citations: Scopus - 41Web of Science - 40 Co-authors: Ariafard A; Hyland CJT; Canty AJ; Sharma M Tweet
2011	Ariafard A, Zarkoob F, Batebi H, Stranger R, Yates BF, 'DFT Studies on the Carboxylation of the C−H Bond of Heteroarenes by Copper(I) Complexes', Organometallics, 30, (22) pp. 6218-6224. ISSN 0276-7333 (2011) [Refereed Article] DOI: 10.1021/om200744a [eCite] [Details] Citations: Scopus - 39Web of Science - 36 Co-authors: Ariafard A Tweet
2011	Besora M, Gourlaouen C, Yates B, Maseras F, 'Phosphine and solvent effects on oxidative addition of CH₃Br to Pd(PR₃) and Pd(PR₃)₂ complexes', Dalton Transactions, 40, (42) pp. 11089-11094. ISSN 1477-9226 (2011) [Refereed Article] DOI: 10.1039/C1DT10983A [eCite] [Details] Citations: Scopus - 41Web of Science - 39 Tweet
2011	Brookes NJ, Ariafard A, Stranger R, Yates BF, 'Tuning the Laplaza-Cummins 3-coordinate M[N(R)Ph]₃ catalyst to activate and cleave CO₂', Dalton Transactions, 40, (20) pp. 5569-5578. ISSN 1477-9226 (2011) [Refereed Article] DOI: 10.1039/c1dt10026b [eCite] [Details] Citations: Scopus - 9Web of Science - 8 Co-authors: Brookes NJ; Ariafard A Tweet
2011	Cavigliasso G, Christian GJ, Stranger R, Yates BF, 'Achieving C-N bond cleavage in dinuclear metal cyanide complexes', Dalton Transactions, 40, (28) pp. 7327-7339. ISSN 1477-9226 (2011) [Refereed Article] DOI: 10.1039/c1dt10225g [eCite] [Details] Citations: Scopus - 8Web of Science - 8 Tweet
2011	Gallego G, Ariafard A, Tran K, Sandoval D, Choi L, et al., 'Titanium-mediated rearrangement of cyclopropenylmethyl acetates to (E)-halodienes', Organic & Biomolecular Chemistry, 9, (9) pp. 3359-3363. ISSN 1477-0520 (2011) [Refereed Article] DOI: 10.1039/c0ob01046d [eCite] [Details] Citations: Scopus - 8Web of Science - 6 Co-authors: Ariafard A; Hyland CJT Tweet
2011	Jones RC, Chojnacka MW, Quail JW, Gardiner MG, Decken A, et al., 'Oxazoles revisited: On the nature of binding of benzoxazole and 2-methylbenzoxazole with the zinc and palladium halides ', Dalton Transactions, 40, (7) pp. 1594-1600. ISSN 1477-9226 (2011) [Refereed Article] DOI: 10.1039/c0dt01266a [eCite] [Details] Citations: Scopus - 10Web of Science - 10 Co-authors: Jones RC; Gardiner MG; Gossage RA Tweet
2011	Karpiniec SS, McGuinness DS, Gardiner MG, Yates BF, Patel J, 'Revisiting the Aufbau Reaction with Acetylene: Further Insights from Experiment and Theory', Organometallics, 30, (6) pp. 1569-1576 . ISSN 0276-7333 (2011) [Refereed Article] DOI: 10.1021/om101114c [eCite] [Details] Citations: Scopus - 8Web of Science - 8 Co-authors: Karpiniec SS; McGuinness DS; Gardiner MG Tweet
2011	Sharma M, Andrea T, Brookes NJ, Yates BF, Eisen MS, 'Organoactinides Promote the Dimerization of Aldehydes: Scope, Kinetics, Thermodynamics, and Calculation Studies', Journal of the American Chemical Society, 133, (5) pp. 1341-1356. ISSN 0002-7863 (2011) [Refereed Article] DOI: 10.1021/ja105696p [eCite] [Details] Citations: Scopus - 56Web of Science - 54 Co-authors: Sharma M; Brookes NJ Tweet
2011	Terrett R, Cavigliasso G, Stranger R, Yates BF, 'On the unprecedented level of dinitrogen activation in the calix[4]arene complex of Nb(III)', Dalton Transactions, 40, (42) pp. 11267-11275. ISSN 1477-9226 (2011) [Refereed Article] DOI: 10.1039/C1DT11091H [eCite] [Details] Citations: Scopus - 6Web of Science - 7 Tweet
2010	Ariafard A, Brookes NJ, Stranger R, Boyd PDW, Yates BF, 'Density functional theory study on the mechanism of the reductive cleavage of CO₂ by a bis-a-diketoiminatediiron dinitrogen complex', Inorganic Chemistry, 49, (17) pp. 7773-7782. ISSN 0020-1669 (2010) [Refereed Article] DOI: 10.1021/ic1005715 [eCite] [Details] Citations: Scopus - 17Web of Science - 17 Co-authors: Ariafard A; Brookes NJ; Boyd PDW Tweet
2010	Ariafard A, Hyland CJT, Canty AJ, Sharma M, Brookes NJ, et al., 'Ligand effects in bimetallic high oxidation state palladium systems', Inorganic Chemistry, 49, (23) pp. 11249-11253. ISSN 0020-1669 (2010) [Refereed Article] DOI: 10.1021/ic1020912 [eCite] [Details] Citations: Scopus - 35Web of Science - 34 Co-authors: Ariafard A; Hyland CJT; Canty AJ; Sharma M; Brookes NJ Tweet
2010	Bedgood DR, Gardiner MG, Yates BF, Bridgeman AJ, Morris G, et al., 'The Development of Teaching Skills to Support Active Learning In University Science (ALIUS)', Journal of Learning Design, 3, (3) pp. 10-19. ISSN 1832-8342 (2010) [Refereed Article] [eCite] [Details] Co-authors: Gardiner MG
2010	Bedgood DR, Yates BF, Buntine M, Pyke S, Lim KF, et al., 'Leading Change in Australian Science Teaching', Chemistry in Australia, 77, (5) pp. 18-19. ISSN 0314-4240 (2010) [Professional, Non Refereed Article] [eCite] [Details] Co-authors: Gardiner MG
2010	Boyd PDW, Edwards AJ, Gardiner MG, Ho CC, Lemee-Cailleau MH, et al., 'Reduction of a chelating bis(NHC) palladium(II) complex to [{mu-bis(NHC)}2Pd2H]<+>+<->: A terminal hydride in a binuclear palladium(I) species formed under catalytically relevant conditions', Angewandte Chemie International Edition, 49, (36) pp. 6315-6318. ISSN 1433-7851 (2010) [Refereed Article] DOI: 10.1002/anie.201003177 [eCite] [Details] Citations: Scopus - 38Web of Science - 37 Co-authors: Boyd PDW; Gardiner MG; Ho CC; McGuinness DS; Riapanitra A; Stringer DN Tweet
2010	Brookes NJ, Ariafard A, Stranger R, Yates BF, 'Scission of Carbon Monoxide Using TaR₃, R = (N(tBu)Ph) or OSi(tBu)₃: a DFT Investigation', Chemistry: A European Journal, 16, (27) pp. 8117-8132. ISSN 0947-6539 (2010) [Refereed Article] DOI: 10.1002/chem.200903348 [eCite] [Details] Citations: Scopus - 6Web of Science - 6 Co-authors: Brookes NJ; Ariafard A Tweet
2010	Brookes NJ, Whited MT, Ariafard A, Stranger R, Grubbs RH, et al., 'Factors dictating carbene formation at (PNP)Ir', Organometallics, 29, (19) pp. 4239-4250. ISSN 0276-7333 (2010) [Refereed Article] DOI: 10.1021/om100211a [eCite] [Details] Citations: Scopus - 16Web of Science - 16 Co-authors: Brookes NJ; Ariafard A Tweet
2010	Cavigliasso G, Wilson L, McAlpine S, Attar M, Stranger R, et al., 'Activation and cleavage of the N-N bond in side-on bound [L₂M-NN-ML₂] (L = NH₂, NMe₂, NⁱPr₂, C₅H₅, C₅Me₄H) dinitrogen complexes of transition metals from groups 4 through 9', Dalton Transactions, 39, (19) pp. 4529-4540. ISSN 1477-9226 (2010) [Refereed Article] DOI: 10.1039/b924999k [eCite] [Details] Citations: Scopus - 14Web of Science - 14 Tweet
2010	Rijs NJ, Yates BF, O'Hair RAJ, 'Dimethylcuprate undergoes a dyotropic rearrangement', Chemistry: A European Journal, 16, (9) pp. 2674-2678. ISSN 0947-6539 (2010) [Refereed Article] DOI: 10.1002/chem.200903510 [eCite] [Details] Citations: Scopus - 37Web of Science - 37 Tweet
2010	Seraya E, Slack E, Ariafard A, Yates BF, Hyland CJT, 'Experimental and theoretical investigation into the gold-catalyzed reactivity of cyclopropenylmethyl acetates', Organic Letters, 12, (21) pp. 4768-4771. ISSN 1523-7060 (2010) [Refereed Article] DOI: 10.1021/ol101862u [eCite] [Details] Citations: Scopus - 38Web of Science - 37 Co-authors: Ariafard A; Hyland CJT Tweet
2009	Amos RIJ, Schiesser CH, Smith Jason, Yates BF, 'Nucleophilic Acyl Substitution of Acyl Diimides', Journal of Organic Chemistry, 74, (15) pp. 5707-5710. ISSN 0022-3263 (2009) [Refereed Article] DOI: 10.1021/jo900923m [eCite] [Details] Citations: Scopus - 3Web of Science - 3 Co-authors: Amos RIJ; Smith Jason Tweet
2009	Amos RIJ, Smith Jason, Yates BF, Schiesser CH, 'Acyl radical addition to pyridine: multiorbital interactions', Tetrahedron, 65, (36) pp. 7653-7657. ISSN 0040-4020 (2009) [Refereed Article] DOI: 10.1016/j.tet.2009.06.102 [eCite] [Details] Citations: Scopus - 6Web of Science - 6 Co-authors: Amos RIJ; Smith Jason Tweet
2009	Ariafard A, Tabatabaie ES, Yates BF, 'Mechanistic Studies of Ligand Fluxionality in [Mo(c⁵-Cp)(c¹-Cp)(L)₂]_n', The Journal of Physical Chemistry Part A: Molecules, Spectroscopy, Kinetics, Environment and General Theory, 113, (12) pp. 2982-2989. ISSN 1089-5639 (2009) [Refereed Article] DOI: 10.1021/jp810032a [eCite] [Details] Citations: Scopus - 7Web of Science - 7 Co-authors: Ariafard A Tweet
2009	Ariafard A, Yates BF, 'In-depth insight into the electronic and steric effects of phosphine ligands on the mechanism of the R-R reductive elimination from (PR₃)₂PdR₂', Journal of Organometallic Chemistry, 694, (13) pp. 2075-2084. ISSN 0022-328X (2009) [Refereed Article] DOI: 10.1016/j.jorganchem.2009.02.011 [eCite] [Details] Citations: Scopus - 28Web of Science - 30 Co-authors: Ariafard A Tweet
2009	Ariafard A, Yates BF, 'Subtle Balance of Ligand Steric Effects in Stille Transmetalation', Journal of the American Chemical Society, 131, (39) pp. 13981-13991. ISSN 0002-7863 (2009) [Refereed Article] DOI: 10.1021/ja9007134 [eCite] [Details] Citations: Scopus - 60Web of Science - 59 Co-authors: Ariafard A Tweet
2009	Brookes NJ, Ariafard A, Stranger R, Yates BF, 'Cleavage of Carbon Dioxide by an Iridium-Supported Fischer Carbene. A DFT Investigation', Journal of the American Chemical Society, 131, (16) pp. 5800-5808. ISSN 0002-7863 (2009) [Refereed Article] DOI: 10.1021/ja809320x [eCite] [Details] Citations: Scopus - 40Web of Science - 38 Co-authors: Brookes NJ; Ariafard A Tweet
2009	Brookes NJ, Ariafard A, Stranger R, Yates BF, 'Reactivity of CO₂ towards Mo[N(R)Ph)₃]', Dalton Transactions, 2009, (42) pp. 9266-9272. ISSN 1477-9226 (2009) [Refereed Article] DOI: 10.1039/b909982d [eCite] [Details] Citations: Scopus - 12Web of Science - 11 Co-authors: Brookes NJ; Ariafard A Tweet
2009	Brookes NJ, Graham DC, Christian G, Stranger R, Yates BF, 'The Influence of Peripheral Ligand Bulk on Nitrogen Activation by Three-Coordinate Molybdenum Complexes-A Theoretical Study Using the ONIOM Method', Journal of Computational Chemistry, 30, (13) pp. 2146-2156. ISSN 0192-8651 (2009) [Refereed Article] DOI: 10.1002/jcc.21199 [eCite] [Details] Citations: Scopus - 24Web of Science - 24 Co-authors: Brookes NJ; Graham DC Tweet
2009	Cavigliasso G, Christian G, Stranger R, Yates BF, 'Activation and cleavage of the N-O bond in dinuclear mixed-metal nitrosyl systems and comparative analysis of carbon monoxide, dinitrogen, and nitric oxide activation', Dalton Transactions, 2009, (6) pp. 956-964. ISSN 1477-9226 (2009) [Refereed Article] DOI: 10.1039/b812568f [eCite] [Details] Citations: Scopus - 11Web of Science - 11 Tweet
2009	Christian G, Stranger R, Yates BF, 'A Comparison of N₂ Cleavage in Schrock's Mo[N₃N] and Laplaza-Cummins' Mo[N(R)Ar]₃ Systems', Chemistry: A European Journal, 15, (3) pp. 646-655. ISSN 0947-6539 (2009) [Refereed Article] DOI: 10.1002/chem.200801127 [eCite] [Details] Citations: Scopus - 14Web of Science - 14 Tweet
2009	Christian G, Terrett RNL, Stranger R, Cavigliasso G, Yates BF, 'Dinitrogen Activation by Fryzuk's [Nb(P₂N₂] Complex and Comparison with the Laplaza-Cummins [Mo{N(R)Ar}₃] and Schrock [Mo(N₃N] Systems', Chemistry: A European Journal, 15, (42) pp. 11373-11383. ISSN 0947-6539 (2009) [Refereed Article] DOI: 10.1002/chem.200900539 [eCite] [Details] Citations: Scopus - 10Web of Science - 10 Tweet
2008	Addicoat MA, Buntine MA, Yates BF, Metha GF, 'Associative Versus Dissociative Binding of CO to 4d Transistion Metal Trimers: A Density Functional Study', Journal of Computational Chemistry, 29, (9) pp. 1497-1506. ISSN 0192-8651 (2008) [Refereed Article] DOI: 10.1002/jcc.20912 [eCite] [Details] Citations: Scopus - 11Web of Science - 11 Tweet
2008	Amos RIJ, Gourlay BS, Schiesser CH, Smith Jason, Yates BF, 'A mechanistic study on the oxidation of hydrazides: application to the tuberculosis drug isoniazid', Chemical Communications, 2008, (14) pp. 1695-1697. ISSN 1359-7345 (2008) [Refereed Article] DOI: 10.1039/b719570b [eCite] [Details] Citations: Scopus - 33Web of Science - 30 Co-authors: Amos RIJ; Gourlay BS; Smith Jason Tweet
2008	Ariafard A, Brookes NJ, Stranger R, Yates BF, 'A Molecular Orbital Rationalization of Ligand Effects in N₂ Activation', Chemistry: A European Journal, 14, (20) pp. 6119-6124. ISSN 0947-6539 (2008) [Refereed Article] DOI: 10.1002/chem.200800235 [eCite] [Details] Citations: Scopus - 13Web of Science - 13 Co-authors: Ariafard A; Brookes NJ Tweet
2008	Ariafard A, Brookes NJ, Stranger R, Yates BF, 'Activation of CS₂ and CS by ML₃ Complexes', Journal of the American Chemical Society, 130, (36) pp. 11928-11938. ISSN 0002-7863 (2008) [Refereed Article] DOI: 10.1021/ja800946e [eCite] [Details] Citations: Scopus - 36Web of Science - 35 Co-authors: Ariafard A; Brookes NJ Tweet
2008	Christian G, Stranger R, Yates BF, Cummins CC, 'Investigating CN- cleavage by three-coordinate M[N(R)Ar](3) complexes', Dalton Transactions, 2008, (3) pp. 338-344. ISSN 1477-9226 (2008) [Refereed Article] DOI: 10.1039/b713757e [eCite] [Details] Citations: Scopus - 12Web of Science - 14 Tweet
2008	Gossage R, Jenkins HA, Jones ND, Jones Roderick, Yates BF, 'Pre-catalyst resting states: a kinetic, thermodynamic and quantum mechanical analyses of [PdCl₂(2-oxazoline)₂] complexes', Dalton Transactions, 2008, (23) pp. 3115-3122. ISSN 1477-9226 (2008) [Refereed Article] DOI: 10.1039/b801951g [eCite] [Details] Citations: Scopus - 2Web of Science - 18 Co-authors: Gossage R; Jones Roderick Tweet
2008	Hawkes KJ, Cavell KJ, Yates BF, 'Rhodium-Catalyzed C-C Coupling Reactions: Mechanistic Considerations', Organometallics, 27, (18) pp. 4758-4771. ISSN 0276-7333 (2008) [Refereed Article] DOI: 10.1021/om800472v [eCite] [Details] Citations: Scopus - 34Web of Science - 34 Co-authors: Hawkes KJ; Cavell KJ Tweet
2008	Hawkes KJ, Yates BF, 'The Mechanism of the Stetter Reaction - A DFT Study', European Journal of Organic Chemistry, 2008, (33) pp. 5563-5570. ISSN 1434-193X (2008) [Refereed Article] DOI: 10.1002/ejoc.200800506 [eCite] [Details] Citations: Scopus - 71Web of Science - 62 Co-authors: Hawkes KJ Tweet
2008	Stack KR, Yates BF, 'The use of molecular modelling in studying pitch deposition', Appita Journal, 61, (3) pp. 203-227. ISSN 1038-6807 (2008) [Refereed Article] [eCite] [Details] Citations: Scopus - 1Web of Science - 1 Co-authors: Stack KR
2007	Christian G, Stranger R, Petrie S, Yates BF, Cummins CC, 'Breaking Chemistry's Strongest Bond: Can Three-Coordinate [M{N(R)Ar}₃] Complexes Cleave Carbon Monoxide', Chemistry - A European Journal, 13, (15) pp. 4264-4272. ISSN 0947-6539 (2007) [Refereed Article] DOI: 10.1002/chem.200601643 [eCite] [Details] Citations: Scopus - 21Web of Science - 21 Tweet
2007	Christian G, Stranger R, Yates BF, Cummins CC, 'Cleavage of CO by Mo[N(R)Ar]₃ Complexes', European Journal of Inorganic Chemistry, 2007, (23) pp. 3736-3741. ISSN 1434-1948 (2007) [Refereed Article] DOI: 10.1002/ejic.200700304 [eCite] [Details] Citations: Scopus - 14Web of Science - 14 Tweet
2007	Christian G, Stranger R, Yates BF, Cummins CC, 'Rationalizing the different products in the reaction of N₂ with three-coordinate MoL₃ complexes', Dalton Transactions, 2007, (19) pp. 1939-1947. ISSN 1477-9226 (2007) [Refereed Article] DOI: 10.1039/b701050h [eCite] [Details] Citations: Scopus - 15Web of Science - 14 Tweet
2007	Frey A, Gardiner MG, Stringer DN, Yates BF, George AV, et al., 'Buckling under Strain: Relief of Steric Pressure Occurs Differently for Samarium(III) Porphyrinogen Complexes of the o-bound Auxiliary Ligands Cyclopentadienyl and Cyclooctatetraenediyl', Organometallics, 26, (6) pp. 1299-1302. ISSN 0276-7333 (2007) [Refereed Article] DOI: 10.1021/om061143i [eCite] [Details] Citations: Scopus - 15Web of Science - 13 Co-authors: Gardiner MG; Stringer DN Tweet
2007	Graham DC, Cavell KJ, Yates BF, 'Oxidative addition of 2-substituted azolium salts to Group-10 metal zero complexes-A DFT study', Dalton Transactions, 2007, (41) pp. 4650-4658. ISSN 1477-9226 (2007) [Refereed Article] DOI: 10.1039/b709914b [eCite] [Details] Citations: Scopus - 39Web of Science - 37 Co-authors: Graham DC; Cavell KJ Tweet
2007	Magill AM, Yates BF, Cavell KJ, Skelton BW, White AH, 'Synthesis of N-heterocyclic carbene palladium(II) bis-phosphine complexes and their decomposition in the presence of aryl halides', Dalton Transactions, 2007, (31) pp. 3398-2406. ISSN 1477-9226 (2007) [Refereed Article] DOI: 10.1039/b706053j [eCite] [Details] Citations: Scopus - 26Web of Science - 31 Co-authors: Magill AM; Cavell KJ Tweet
2007	Normand AT, Hawkes KJ, Clement ND, Cavell KJ, Yates BF, 'Atom-Efficient Catalytic Coupling of Imidazolium Salts with Ethylene Involving Ni-NHC Complexes as Intermediates: A Combined Experimental and DFT Study', Organometallics, 26, (22) pp. 5252-5363. ISSN 0276-7333 (2007) [Refereed Article] DOI: 10.1021/om070125d [eCite] [Details] Citations: Scopus - 75Web of Science - 77 Co-authors: Hawkes KJ Tweet
2006	Christian GJ, Stranger R, Yates BF, 'Optimizing Small Molecule Activation and Cleavage in Three-Coordinate M[N(R)Ar]₃ Complexes', Inorganic Chemistry, 45, (17) pp. 6851-6859. ISSN 0020-1669 (2006) [Refereed Article] DOI: 10.1021/ic051778u [eCite] [Details] Citations: Scopus - 25Web of Science - 25 Tweet
2006	Graham DC, Cavell KJ, Yates BF, 'The influence of N-substitution on the reductive elimination behaviour of hydrocarbyl-palladium-carbene complexes-a DFT study', Dalton Transactions, 6, (14) pp. 1768-1775. ISSN 1477-9226 (2006) [Refereed Article] DOI: 10.1039/b512681a [eCite] [Details] Citations: Scopus - 1Web of Science - 54 Co-authors: Graham DC; Cavell KJ Tweet
2006	Stranger R, Yates BF, 'Mixing of electronic states in molybdenum complexes involved in nitrogen activation', Chemical Physics, 324, (1) pp. 202-209. ISSN 0301-0104 (2006) [Refereed Article] DOI: 10.1016/j.chemphys.2006.01.013 [eCite] [Details] Citations: Scopus - 10Web of Science - 9 Tweet
2006	Yates BF, 'Computational Organic Chemistry', Annual Reports on the Progress of Chemistry. Section B: Organic Chemistry , 102 pp. 219-246. ISSN 0069-3030 (2006) [Non Refereed Article] DOI: 10.1039/B518099F [eCite] [Details] Tweet
2006	Yates BF, Basch H, Musaev DG, Morokuma K, 'Reaction of H₂ with a Binuclear Zirconium Dinitrogen Complex - Evaluation of Theoretical Models and Hybrid Approaches', Journal of Chemical Theory and Computation, 2, (5) pp. 1298-1316. ISSN 1549-9618 (2006) [Refereed Article] DOI: 10.1021/ct050320e [eCite] [Details] Citations: Scopus - 16Web of Science - 15 Tweet
2005	Bermingham MJ, Cloke FGN, Gardiner MG, Hitchcock PB, Wise LE, et al., 'Structural studies of Group 1 metal 4-azapentalenyl complexes', Dalton Transactions, 2005, (7) pp. 1157-1158. ISSN 1477-9226 (2005) [Refereed Article] DOI: 10.1039/b500198f [eCite] [Details] Citations: Scopus - 3Web of Science - 3 Co-authors: Bermingham MJ; Gardiner MG; Wise LE Tweet
2005	Christian G, Stranger R, Yates BF, Graham DC, 'Ligand rotation in [Ar(R)N](3)M-N-2-M '[N(R)Ar](3) (M, M ' = Mo-III, Nb-III; R = Pr-i and Bu-t) dimers', Dalton Transactions, 2005, (5) pp. 962-968. ISSN 1477-9226 (2005) [Refereed Article] DOI: 10.1039/b413766c [eCite] [Details] Citations: Scopus - 20Web of Science - 25 Co-authors: Graham DC Tweet
2005	Graham DC, Beran GJO, Head-Gordon M, Christian G, Stranger R, et al., 'Nitrogen Activation via Three-Coordinate Molybdenum Complexes: Comparison of Density Functional Theory Performance with Wave Function Based Methods', Journal of Physical Chemistry A, 109, (30) pp. 6762-6772. ISSN 1089-5639 (2005) [Refereed Article] DOI: 10.1021/jp044217h [eCite] [Details] Citations: Scopus - 38Web of Science - 36 Co-authors: Graham DC Tweet
2005	Graham DC, Cavell KJ, Yates BF, 'Dimerization mechanisms of heterocyclic carbenes', Journal of Physical Organic Chemistry, 18, (4) pp. 298-309. ISSN 0894-3230 (2005) [Refereed Article] DOI: 10.1002/poc.846 [eCite] [Details] Citations: Scopus - 42Web of Science - 42 Co-authors: Graham DC; Cavell KJ Tweet
2005	Graham DC, Cavell KJ, Yates BF, 'Influence of geometry on reductive elimination of hydrocarbyl-palladium-carbene complexes', Dalton Transactions, 2005, (6) pp. 1093-1100. ISSN 1477-9226 (2005) [Refereed Article] DOI: 10.1039/b417111j [eCite] [Details] Citations: Scopus - 33Web of Science - 43 Co-authors: Graham DC; Cavell KJ Tweet
2005	Humphrey MG, Lockhart-Gillett BJ, Samoc M, Skelton BW, Tolhurst V, et al., 'Synthesis, structure and optical limiting properties of organoruthenium-chalcogenide clusters', Journal of Organometallic Chemistry, 690, (6) pp. 1487-1497. ISSN 0022-328X (2005) [Refereed Article] DOI: 10.1016/j.jorganchem.2004.12.018 [eCite] [Details] Citations: Scopus - 22Web of Science - 18 Co-authors: Lockhart-Gillett BJ; Tolhurst V; Wilson AJ Tweet
2005	Jones RC, Madden RL, Skelton BW, Tolhurst V, White AH, et al., 'Solution, structural and catalytic studies of neutral MCl2 (M = Pd, Pt) complexes of the N/E mixed-donor ligands 2-(RECH2)C5H4N (RE = MeS, PhS, MeSe)', European Journal of Inorganic Chemistry, 2005, (6) pp. 1048-1055. ISSN 1434-1948 (2005) [Refereed Article] DOI: 10.1002/ejic.200400514 [eCite] [Details] Citations: Scopus - 25Web of Science - 26 Co-authors: Jones RC; Madden RL; Tolhurst V; Williams AM; Wilson AJ Tweet
2005	Yates BF, 'Computational Organic Chemistry', Annual Reports on the Progress of Chemistry. Section B: Organic Chemistry, 101 pp. 210-234. ISSN 0069-3030 (2005) [Non Refereed Article] DOI: 10.1039/B500216H [eCite] [Details] Tweet
2004	Graham DC, Yates BF, 'Increased Stability of NO and NS Heterocyclic Carbenes?', Australian Journal of Chemistry, 57, (4) pp. 359-364. ISSN 0004-9425 (2004) [Refereed Article] DOI: 10.1071/CH03248 [eCite] [Details] Citations: Scopus - 2Web of Science - 2 Co-authors: Graham DC Tweet
2004	Hawkes KJ, McGuinness DS, Cavell KJ, Yates BF, 'Theoretical studies of the oxidative addition of azolium salts to a model Wilkinson's catalyst', Dalton Transactions, (16) pp. 2505-2513. ISSN 1477-9226 (2004) [Refereed Article] DOI: 10.1039/b407088g [eCite] [Details] Citations: Scopus - 21Web of Science - 21 Co-authors: Hawkes KJ; McGuinness DS; Cavell KJ Tweet
2004	Magill AM, Cavell KJ, Yates BF, 'Basicity of Nucleophilic Carbenes in Aqueous and Nonaqueous Solvents - Theoretical Predictions', Journal of the American Chemical Society, 126, (28) pp. 8717-8724. ISSN 0002-7863 (2004) [Refereed Article] DOI: 10.1021/ja038973x [eCite] [Details] Citations: Scopus - 391Web of Science - 386 Co-authors: Magill AM; Cavell KJ Tweet
2004	Magill AM, Yates BF, 'An Assessment of Theoretical Protocols for Calculation of the pK_a Values of the Prototype Imidazolium Cation', Australian Journal of Chemistry, 57, (12) pp. 1205-1210. ISSN 0004-9425 (2004) [Refereed Article] DOI: 10.1071/CH04159 [eCite] [Details] Citations: Scopus - 84Web of Science - 83 Co-authors: Magill AM Tweet
2004	Tuttle CTT, Seabrook SA, Wise LE, Katsifis A, Knott RB, et al., 'Molecular Modelling and Design of Radiolabelled Complexes for Melanoma Diagnosis', Australian Journal of Chemistry, 57, (1) pp. 87-96. ISSN 0004-9425 (2004) [Refereed Article] DOI: 10.1071/CH03165 [eCite] [Details] Citations: Scopus - 2Web of Science - 2 Co-authors: Tuttle CTT; Wise LE Tweet
2004	Vercoe DQ, Stack KR, Blackman AJ, Yates BF, Richardson D, 'An Innovative Approach Characterising the Interactions Leading to Pitch Deposition', Journal of Wood Chemistry and Technology, 24, (2) pp. 115-137. ISSN 0277-3813 (2004) [Refereed Article] DOI: 10.1081/WCT-200026562 [eCite] [Details] Citations: Scopus - 16Web of Science - 10 Co-authors: Vercoe DQ; Stack KR; Blackman AJ Tweet
2004	Wang J, Dick AKJ, Gardiner MG, Yates BF, Peacock EJ, et al., 'Lanthanide(II) and -(III) Porphyrinogens - Rational Synthesis and Derivatisation of Mononuclear, Alkali-Metal-Free Lanthanide(II) and -(III) meso-Octaalkylporphyrinogen Complexes', European Journal of Inorganic Chemistry, (10) pp. 1992-1995. ISSN 1434-1948 (2004) [Refereed Article] DOI: 10.1002/ejic.200300965 [eCite] [Details] Citations: Scopus - 21Web of Science - 20 Co-authors: Wang J; Dick AKJ; Gardiner MG; Peacock EJ Tweet
2004	Yates BF, 'Computational Chemistry and Spectroscopy', Australian Journal of Chemistry, 57, (12) pp. 1117-1118. ISSN 0004-9425 (2004) [Non Refereed Article] [eCite] [Details]
2004	Yates BF, 'Computational Organic Chemistry', Annual Reports on the Progress of Chemistry. Section B: Organic Chemistry, 100 pp. 251-283. ISSN 0069-3030 (2004) [Non Refereed Article] DOI: 10.1039/B404044A [eCite] [Details] Tweet
2003	Yates BF, 'Computational organic chemistry', Annual Reports on the Progress of Chemistry. Section B: Organic Chemistry, 99 pp. 292-325. ISSN 0069-3030 (2003) [Non Refereed Article] DOI: 10.1039/B212014N [eCite] [Details] Tweet
2002	Barnett VG, Banham P, Yates BF, 'Inhibition of photo-induced colour reversion of TMP and peroxide-bleached TMP by mercaptans', APPITA Journal, 55, (1) pp. 27-34,48. ISSN 1038-6807 (2002) [Refereed Article] [eCite] [Details] Citations: Web of Science - 2
2002	McGuinness DS, Yates BF, Cavell KJ, 'Theoretical study of methyl-Pd-II N-heterocyclic silylene and germylene complexes: Comparisons to N-heterocyclic carbene reactivity', Organometallics, 21, (24) pp. 5408-5414. ISSN 0276-7333 (2002) [Refereed Article] DOI: 10.1021/om020750c [eCite] [Details] Citations: Scopus - 31Web of Science - 27 Co-authors: McGuinness DS Tweet
2002	Nielsen DJ, Magill AM, Yates BF, Cavell KJ, Skelton BW, et al., 'Experimental and computational study of a reductive elimination mechanism in a methyl-Pd(II)-CNC carbene complex', Chemical Communications, (21) pp. 2500-2501. ISSN 1359-7345 (2002) [Refereed Article] DOI: 10.1039/b207020k [eCite] [Details] Citations: Scopus - 70Web of Science - 67 Co-authors: Nielsen DJ; Magill AM Tweet
2002	Yates BF, 'Computational Organic Chemistry', Annual Reports on the Progress of Chemistry. Section B: Organic Chemistry, 98 pp. 607-638. ISSN 0069-3030 (2002) [Refereed Article] DOI: 10.1039/b110351m [eCite] [Details] Citations: Scopus - 7 Tweet
2001	McGuinness DS, Cavell KJ, Yates BF, 'Unprecedented C-H bond oxidative addition of the imidazolium cation to Pt-0: a combined density functional analysis and experimental study', Chemical Communications, (4) pp. 355-356. ISSN 1359-7345 (2001) [Refereed Article] DOI: 10.1039/b009674l [eCite] [Details] Citations: Web of Science - 118 Co-authors: McGuinness DS; Cavell KJ Tweet
2001	McGuinness DS, Cavell KJ, Yates BF, Skelton BW, White AH, 'Oxidative Addition of the Imidazolium Cation to Zerovalent Ni, Pd, and Pt: A Combined Density Functional and Experimental Study', Journal of the American Chemical Society, 123, (34) pp. 8317-8328. ISSN 0002-7863 (2001) [Refereed Article] DOI: 10.1021/ja010628p [eCite] [Details] Citations: Scopus - 224Web of Science - 216 Co-authors: McGuinness DS; Cavell KJ Tweet
2001	McGuinness DS, Saendig NS, Yates BF, Cavell KJ, 'Kinetic and Density Functional Studies on Alkyl-Carbene Elimination from Pd^II Heterocyclic Carbene Complexes: A New Type of Reductive Elimination with Clear Implications for Catalysis', Journal of the American Chemical Society, 123, (17) pp. 4029-4040. ISSN 0002-7863 (2001) [Refereed Article] DOI: 10.1021/ja003861g [eCite] [Details] Citations: Scopus - 236Web of Science - 228 Co-authors: McGuinness DS; Cavell KJ Tweet
2001	Yates BF, 'Olefin strain energies and platinum complexes of highly pyramidalised alkenes', Journal of Organometallic Chemistry, 635, (1-2) pp. 142-152. ISSN 0022-328X (2001) [Refereed Article] DOI: 10.1016/S0022-328X(01)01045-2 [eCite] [Details] Citations: Scopus - 11Web of Science - 10 Tweet
2001	Yates BF, 'Computational organometallic chemistry', Chemistry in Australia, (August) pp. 16-18. ISSN 0314-4240 (2001) [Professional, Non Refereed Article] [eCite] [Details]
2000	Bremner JB, Coban B, Griffith R, Groenewoud KM, Yates BF, 'Ligand design for alpha(1) adrenoceptor subtype selective antagonists', Bioorganic & Medicinal Chemistry , 8, (1) pp. 201-214. ISSN 0968-0896 (2000) [Refereed Article] DOI: 10.1016/S0968-0896(99)00263-1 [eCite] [Details] Citations: Scopus - 71Web of Science - 65 Co-authors: Groenewoud KM Tweet
2000	Hambley TW, Frankcombe KE, Yates BF, Cavell KJ, Knott RE, 'The structure of a methylpalladium(II) complex of pyridine-2-carboxylato(N-O) and triphenylphosphine (PPh3), [Pd(CH3)(N O)(PPh3)]', Australian Journal of Chemistry, 53, (9) pp. 805-807. ISSN 0004-9425 (2000) [Refereed Article] DOI: 10.1071/CH00064 [eCite] [Details] Citations: Scopus - 2Web of Science - 2 Co-authors: Cavell KJ Tweet
2000	Yates BF, 'The platinum-ethylene binding energy in Pt(PL₃)₂(C₂H₄) ', Journal of Molecular Structure (Theochem), 506 pp. 223-232. ISSN 0166-1280 (2000) [Refereed Article] DOI: 10.1016/S0166-1280(00)00414-0 [eCite] [Details] Citations: Scopus - 22Web of Science - 21 Tweet
2000	Yates BF, 'Structural and electronic characterisation of the organometallic distonic ion (C₆H₆)Fe⁺(p-C₆H₄) ', International Journal of Mass Spectrometry, 201, (1-3) pp. 297-395. ISSN 1387-3806 (2000) [Refereed Article] DOI: 10.1016/S1387-3806(00)00227-X [eCite] [Details] Citations: Scopus - 5Web of Science - 4 Tweet
1999	Uddin J, Dapprich S, Frenking G, Yates BF, 'Nature of the metal-alkene bond in platinum complexes of strained olefins', Organometallics, 18, (4) pp. 457-465. ISSN 0276-7333 (1999) [Refereed Article] DOI: 10.1021/om9805842 [eCite] [Details] Citations: Scopus - 7Web of Science - 56 Tweet
1998	Bruno RB, Graham DC, Yates BF, 'Computational methods for predicting biological activity', Chemistry in Australia, 65, (11) pp. 12-14. ISSN 0314-4240 (1998) [Professional, Non Refereed Article] [eCite] [Details] Co-authors: Bruno RB; Graham DC
1998	Green MJ, Britovsek GJP, Cavell KJ, Gerhards F, Yates BF, et al., 'Cationic methylpalladium(II) complexes containing bidentate N-O ligands as catalysts for the copolymerisation of CO and ethylene. Identification and isolation of intermediates from the stepwise insertion reactions, and subsequent detailed mechanistic interpretation', Journal of the Chemical Society, Dalton Transactions , (7) pp. 1137-1144. ISSN 0300-9246 (1998) [Refereed Article] DOI: 10.1039/a707199j [eCite] [Details] Citations: Scopus - 51Web of Science - 49 Co-authors: Britovsek GJP; Cavell KJ Tweet
1998	Hertwig RH, Koch W, Yates BF, 'Economical treatments of relativistic effects and electron correlation in WH6', Journal of Computational Chemistry, 19, (14) pp. 1604-1611. ISSN 0192-8651 (1998) [Refereed Article] DOI: 10.1002/(SICI)1096-987X(19981115)19:14<1604::AID-JCC6>3.0.CO;2-N [eCite] [Details] Citations: Scopus - 5Web of Science - 5 Tweet
1998	Salter-Duke BJ, Wong MG, Lloyd EJ, Yates BF, Cross BJ, 'Learning Computational Chemistry via the Internet', 2 pp. 31-33. ISSN 1443-4482 (1998) [Edited Journal] [eCite] [Details]
1998	Yates BF, 'An early diagnosis of Parkinson's disease?', Chemistry in Australia, 65, (6) pp. 41. ISSN 0314-4240 (1998) [Professional, Non Refereed Article] [eCite] [Details]
1997	Frankcombe KE, Cavell KJ, Yates BF, Knott RB, 'Competing reaction mechanisms for the carbonylation of neutral palladium(II) complexes containing bidentate ligands: a theoretical study', Organometallics, 16, (14) pp. 3199-3206. ISSN 0276-7333 (1997) [Refereed Article] DOI: 10.1021/om970063z [eCite] [Details] Citations: Scopus - 29Web of Science - 26 Co-authors: Cavell KJ Tweet
1997	Griffith R, Yates BF, Bremner JB, Titmuss SJ, 'A quantitative investigation of the transannular amine-ketone (N^...C=O interaction in medium-sized heterocycles', Journal of Molecular Graphics and Modelling, 15, (2) pp. 91-99. ISSN 1093-3263 (1997) [Refereed Article] DOI: 10.1016/S1093-3263(97)00019-3 [eCite] [Details] Citations: Scopus - 6Web of Science - 6 Tweet
1996	Frankcombe KE, Cavell KJ, Knott RB, Yates BF, 'Competing mechanisms in the carbonylation of neutral palladium(II) complexes containing bidentate ligands: theoretical insights', Chemical Communications, (6) pp. 781-782. ISSN 1359-7345 (1996) [Refereed Article] DOI: 10.1039/cc9960000781 [eCite] [Details] Citations: Scopus - 18Web of Science - 11 Co-authors: Cavell KJ Tweet
1996	Frankcombe KE, Cavell KJ, Yates BF, Knott RB, 'Ligand substitution: An assessment of the reliability of ab initio calculations', The Journal of Physical Chemistry, 100, (47) pp. 18363-18370. ISSN 0022-3654 (1996) [Refereed Article] DOI: 10.1021/jp960831k [eCite] [Details] Citations: Scopus - 22Web of Science - 20 Co-authors: Cavell KJ Tweet
1996	Heard GL, Yates BF, 'Hybrid supermolecule-polarizable continuum approach to solvation: application to the mechanism of the Stevens Rearrangement', Journal of Computational Chemistry, 17, (12) pp. 1444-1452. ISSN 0192-8651 (1996) [Refereed Article] DOI: 10.1002/(SICI)1096-987X(199609)17:12<1444::AID-JCC5>3.0.CO;2-K [eCite] [Details] Citations: Scopus - 5Web of Science - 5 Tweet
1996	Heard GL, Yates BF, 'Competing rearrangements of ammonium ylides: a quantum theoretical study', Journal of Organic Chemistry, 61, (21) pp. 7276-7284. ISSN 0022-3263 (1996) [Refereed Article] DOI: 10.1021/jo952227w [eCite] [Details] Citations: Scopus - 17Web of Science - 13 Tweet
1996	Sun Y-P, Yates BF, Abbot J, Chen C-L, 'Oxidation of Lignin model compounds containing an alpha-carbonyl group and a ring-conjugated double-bond by hydrogen peroxide-UV photolysis', Holzforschung, 50, (3) pp. 226-232. ISSN 0018-3830 (1996) [Refereed Article] DOI: 10.1515/hfsg.1996.50.3.226 [eCite] [Details] Citations: Scopus - 14Web of Science - 10 Tweet
1996	Sun Y-P, Yates BF, Abbot J, Chen C-L, 'ESR study of lignin model compounds irradiated by UV (254nm photons) in the presence of hydrogen peroxide', Holzforschung, 50, (3) pp. 233-236. ISSN 0018-3830 (1996) [Refereed Article] DOI: 10.1515/hfsg.1996.50.3.233 [eCite] [Details] Citations: Scopus - 5Web of Science - 4 Tweet
1995	Barnett VG, Banham P, Yates BF, 'A search for an artificial light source closely resembling the photoreversion responses of thermochemical pulps exposed to sunlight', Appita, 48 pp. 288-294. ISSN 1038-6807 (1995) [Refereed Article] [eCite] [Details]
1995	Frankcombe KE, Cavell KJ, Knott RB, Yates BF, 'Large basis set calculations on model zerovalent palladium systems', Journal of Physical Chemistry, 99, (39) pp. 14316-14322. ISSN 0022-3654 (1995) [Refereed Article] DOI: 10.1021/j100039a019 [eCite] [Details] Citations: Scopus - 16Web of Science - 16 Co-authors: Cavell KJ Tweet
1995	Heard GL, Yates BF, 'Theoretical evaluation of alternative pathways in the Stevens rearrangement', Australian Journal of Chemistry, 48, (8) pp. 1413-1423. ISSN 0004-9425 (1995) [Refereed Article] DOI: 10.1071/CH9951413 [eCite] [Details] Citations: Scopus - 19Web of Science - 13 Tweet

Chapter in Book

(3 outputs)

Year	Citation	Altmetrics
2012	Dermoudy J, Jones S, Osborn J, Yates B, Geraghty D, et al., 'nexus: Journal of Undergraduate Science Engineering and Technology', How to Start an Undergraduate Research Journal, Council on Undergraduate Research, DA Hart (ed), Washington, USA, pp. 71-80. ISBN 0-941933-41-5 (2012) [Other Book Chapter] [eCite] [Details] Co-authors: Dermoudy J; Jones S; Osborn J; Geraghty D; Dearden C
2012	Yates BF, Gardiner MG, 'First Year Chemistry Language Support at the University of Tasmania', Sustainable Language Support Practices in Science Education: Technologies and Solutions, Information Science Reference, F Zhang, BA Lidbury, AM Richardson, BF Yates, MG Gardiner, AJ Bridgeman, J Schulte, J Rodger, K Mate (ed), United States of America, pp. 58-79. ISBN 978-1-61350-062-0 (2012) [Research Book Chapter] [eCite] [Details] Co-authors: Gardiner MG Tweet
2007	Yates BF, 'Integrating doctoral candidates into research teams', Supervising Doctorates, ACER Press, Cary Denholm and Terry Evans (ed), Melbourne, pp. 105-112. ISBN 9780864314307 (2007) [Other Book Chapter] [eCite] [Details]

Year

Citation

Altmetrics

2012

Dermoudy J, Jones S, Osborn J, Yates B, Geraghty D, et al., 'nexus: Journal of Undergraduate Science Engineering and Technology', How to Start an Undergraduate Research Journal, Council on Undergraduate Research, DA Hart (ed), Washington, USA, pp. 71-80. ISBN 0-941933-41-5 (2012) [Other Book Chapter]

[eCite] [Details]

Co-authors: Dermoudy J; Jones S; Osborn J; Geraghty D; Dearden C

2012

Yates BF, Gardiner MG, 'First Year Chemistry Language Support at the University of Tasmania', Sustainable Language Support Practices in Science Education: Technologies and Solutions, Information Science Reference, F Zhang, BA Lidbury, AM Richardson, BF Yates, MG Gardiner, AJ Bridgeman, J Schulte, J Rodger, K Mate (ed), United States of America, pp. 58-79. ISBN 978-1-61350-062-0 (2012) [Research Book Chapter]

[eCite] [Details]

Co-authors: Gardiner MG

2007

Yates BF, 'Integrating doctoral candidates into research teams', Supervising Doctorates, ACER Press, Cary Denholm and Terry Evans (ed), Melbourne, pp. 105-112. ISBN 9780864314307 (2007) [Other Book Chapter]

[eCite] [Details]

Conference Publication

(61 outputs)

Year	Citation	Altmetrics
2012	Hannan GJ, Kelder J-A, Jones SM, Yates BF, Dermoudy J, et al., 'The 2010-2011 Learning and Teaching Academic Standards (LTAS) project for Science defined a set of nationally agreed Threshold Learning Outcomes (TLOs) for Australian graduates of bachelor level science degrees', Presentation to Teaching Matters 2012, 4 December 2012, Launceston, Tasmania (2012) [Conference Extract] [eCite] [Details] Co-authors: Hannan GJ; Kelder J-A; Jones SM; Dermoudy J; Osborn JE; Lane PA; Acuna TL; Pullen R
2012	Jones SM, Skalicky JL, West ML, Fraser SP, Walls JT, et al., 'Developing a scholarly approach to teaching and learning leadership through a Peer Professional Learning Program', Developing a scholarly approach to teaching and learning leadership through a Peer Professional Learning Program, October, 22 - 27, 2012, Hamilton Convention Centre & Sheraton Hamilton Hot, pp. 110. (2012) [Conference Extract] [eCite] [Details] Co-authors: Jones SM; Skalicky JL; West ML; Fraser SP; Walls JT
2012	Jones SM, Yates BF, Kelder J-A, 'Learning and teaching academic standards for science: Where are we now?', Proceedings of the Australian Conference on Science and Mathematics Education, 2012, University of Sydney, Australia, pp. 105-109. ISBN 978-0-9871834-1-5 (2012) [Refereed Conference Paper] [eCite] [Details] Co-authors: Jones SM; Kelder J-A Tweet
2012	Kelder J-A, Jones SM, Yates BF, 'Disciplines setting standards: The Sciences Standards Statement as a 'boundary object' for science higher education', Connections in Higher Education, Monday 2 - Thursday 5 July 2012, Hotel Grand Chancellor Hobart, Tasmania, pp. 38. (2012) [Conference Extract] [eCite] [Details] Co-authors: Kelder J-A; Jones SM
2011	Gardiner MG, James AN, Yates BF, 'Samarium(II) Pyridine Adducts: A Systematic Investigation of the Steric Effects of Lewis Base Binding', OZOM6: 6th Australian Symposium on Organometallic Chemistry, 17-20 January 2011, University of Tasmania, pp. P20 (student poster presentation). (2011) [Conference Extract] [eCite] [Details] Co-authors: Gardiner MG; James AN
2011	Gardiner MG, Lockhart-Gillett BJ, Yates BF, 'Structural Studies of Tethered Mixed Anion Lithium Complexes', OZOM6: 6th Australian Symposium on Organometallic Chemistry, 17-20 January 2011, University of Tasmania, pp. P24 (student poster presentation). (2011) [Conference Extract] [eCite] [Details] Co-authors: Gardiner MG; Lockhart-Gillett BJ
2011	Yates BF, Jones SM, 'Outcomes from the ALTC science learning and teaching academic project', Higher Education on the Edge, 4-8 July 2011, Griffith University (2011) [Conference Extract] [eCite] [Details] Co-authors: Jones SM
2010	Gardiner MG, Lockhart-Gillett BJ, Yates BF, 'Hybrid Stacked/Ladder Organolithium Aggregates: A Structural Hypothesis for Super Base Reactivity', ICCC39: Internatonal Conference on Coordination Chemistry, 25-30 July 2010, Adelaide Convention Centre, pp. O158 (oral presentation). (2010) [Conference Extract] [eCite] [Details] Co-authors: Gardiner MG; Lockhart-Gillett BJ
2010	Gardiner MG, Lockhart-Gillett BJ, Yates BF, 'Structure and Reactivity Studies of Tethered Mixed-Anion Lithium Complexes: A Model for Superbase Reactivity Based on a Structural Hypothesis', PacifiChem 2010, 15-20 December 2010, Honolulu, pp. INOR458 (invited oral presentation). (2010) [Conference Extract] [eCite] [Details] Co-authors: Gardiner MG; Lockhart-Gillett BJ
2010	Jones SM, Casper RM, Dermoudy J, Osborn JE, Yates BF, 'Authentic learning: a paradigm for increasing student motivation in an era of mass education', Cultures of Learning, 25 November, 2010, University of Tasmania, pp. 52-59. (2010) [Non Refereed Conference Paper] [eCite] [Details] Co-authors: Jones SM; Casper RM; Dermoudy J; Osborn JE
2010	Jones SM, Casper RM, Dermoudy J, Osborn JE, Yates BF, 'Making science relevant: A faculty-wide initiative towards enhancing the student experience through authentic learning activities', Proceedings of the 16th UniServe Science Annual Conference, 2010, 29 September - 1 October 2010, University of Sydney, pp. 127. ISBN 978-0-9808597-0-6 (2010) [Conference Extract] [eCite] [Details] Co-authors: Jones SM; Casper RM; Dermoudy J; Osborn JE
2010	Jones SM, Yates BF, 'Threshold learning outcomes for science graduates: A progress report on the learning and teaching academic standards project', Proceedings of the 16th UniServe Science Annual Conference, 2010, 29 September - 1 October 2010, University of Sydney, pp. 129. ISBN 978-0-9808597-0-6 (2010) [Conference Extract] [eCite] [Details] Co-authors: Jones SM
2010	Riapanitra A, Boyd PDW, Edwards AJ, Gardiner MG, Lemee-Cailleau MH, et al., 'Reduction of Chelating Bis(NHC)Pd(II) Complexes to [{mu-bis(NHC)}2PD2H]+: Novel Pd(I)-Pd(I) Bonded Species with a Terminal Hydride and a Pd(I)-H-Pd(I) Complex Lacking a Pd-Pd Bond', ICCC39: Internatonal Conference on Coordination Chemistry, 25-30 July 2010, Adelaide Convention Centre, pp. O267 (poster presentation). (2010) [Conference Extract] [eCite] [Details] Co-authors: Riapanitra A; Gardiner MG; McGuinness DS; Stringer DN
2010	Riapanitra A, Boyd PDW, Edwards AJ, Gardiner MG, Lemee-Cailleau MH, et al., 'Reduction of Chelating Bis(NHC)Pd(II) Complexes to [{mu-bis(NHC)}2Pd2H]+: Novel Pd(I)-Pd(I) Bonded Species with a Terminal Hydride and a Pd(I)-H-Pd(I) Complex Lacking a Pd-Pd Bond', OZOM5: 5th Australian Symposium on Organometallic Chemistry, 17-20 January 2010, University of New South Wales, pp. P13A (poster presentation). (2010) [Conference Extract] [eCite] [Details] Co-authors: Riapanitra A; Gardiner MG; McGuinness DS; Stringer DN
2009	Bedgood DR, Bridgeman AJ, Lim KF, Morris G, Yates BF, et al., 'ALIUS: Active Learning In University Science: Leading Change in Australian Science Teaching', UniServe Science, 1-2 October 2009, University of Sydney, pp. 186 (oral presentation). (2009) [Conference Extract] [eCite] [Details] Co-authors: Gardiner MG
2009	Yates BF, Gardiner MG, 'Embedding high impact education practices in 1st year science: a cross-disciplinary cross-institutional partnership', Teaching Matters 2009, 26 November 2009, University of Tasmania, pp. 13 (oral presentation). (2009) [Refereed Conference Paper] [eCite] [Details] Co-authors: Gardiner MG Tweet
2009	Zhang F, Lidbury B, Schulte J, Bridgeman AJ, Rodgers J, et al., 'Embedding high impact education practices in 1st year science: outcomes and future directions', UniServe Science, 1-2 October 2009, University of Sydney, pp. 139-145 (referred oral presentation). (2009) [Refereed Conference Paper] [eCite] [Details]
2008	Amos RIJ, Dick AKJ, Frey A, Powanusorn S, Stringer DN, et al., 'Lanthanide Complexes of Modified Calix[4]pyrrolides', International Symposium on Homogeneous Catalysis, ISHC-XVI Book of Abstracts, 6-11 Jul 2008, Florence Convention Centre, pp. P440 (poster presentation). (2008) [Conference Extract] [eCite] [Details] Co-authors: Amos RIJ; Dick AKJ; Stringer DN; Wang Jun; Gardiner MG
2008	Gardiner MG, Lockhart-Gillett BJ, Yates BF, 'Structure and reactivity of tethered mixed anion lithium complexes: a rational discovery of a new class of superbase', IC08: Royal Australian Chemical Institute Conference of the Inorganic Division Programme and Books of Abstracts, 14-18 December 2008, University of Canterbury, Christchurch New Zealand, pp. 150. (2008) [Conference Extract] [eCite] [Details] Co-authors: Gardiner MG; Lockhart-Gillett BJ
2007	Gardiner MG, James AN, Yates BF, 'Novel Access to Monovalent Group 13 Metal Complexes: Synthetic and Theoretical Studies of the Thermal Decomposition of Metallocyclopent-3-enes', IC07: Royal Australian Chemical Institute Conference of the Inorganic Division Program and Conference Papers, 4-8 Feb 2007, Wrest Point Convention Centre, Hobart, pp. Poster 250 (student poster presentation). (2007) [Conference Extract] [eCite] [Details] Co-authors: Gardiner MG; James AN
2007	Gardiner MG, Lockhart-Gillett BJ, Yates BF, 'Structural Studies of Tethered Mixed-Anion Lithium Complexes', IC07: Royal Australian Chemical Institute Conference of the Inorganic Division Program and Conference Papers, 4-8 Feb 2007, Wrest Point Convention Centre, Hobart, pp. Poster 244 (student poster presentation). (2007) [Conference Extract] [eCite] [Details] Co-authors: Gardiner MG; Lockhart-Gillett BJ
2007	Gardiner MG, Stringer DN, Yates BF, 'Lanthanide Imides - A Synthetic Investigation', IC07: Royal Australian Chemical Institute Conference of the Inorganic Division Program and Conference Papers, 4-8 Feb 2007, Wrest Point Convention Centre, Hobart, pp. Poster 243 (student poster presentation). (2007) [Conference Extract] [eCite] [Details] Co-authors: Gardiner MG; Stringer DN
2007	Gardiner MG, Stringer DN, Yates BF, 'Lanthanide Imides - A Theoretical Investigation', IC07: Royal Australian Chemical Institute Conference of the Inorganic Division Program and Conference Papers, 4-8 Feb 2007, Wrest Point Convention Centre, Hobart, pp. Poster 245 (student poster presentation). (2007) [Conference Extract] [eCite] [Details] Co-authors: Gardiner MG; Stringer DN
2007	Jones SM, Dermoudy J, Hannan GJ, James SA, Osborn JE, et al., 'Designing and mapping a generic attributes curriculum for science undergraduate students: a faculty-wide collaborative project', UniServe Science Symposium Proceedings: Science Teaching and Learning Research, September 27 & 28, 2007, University of Sydney, pp. 40-45. (2007) [Refereed Conference Paper] [eCite] [Details] Co-authors: Jones SM; Dermoudy J; Hannan GJ; James SA; Osborn JE; Evans CE
2006	Dermoudy J, Evans CE, Hannan GJ, James S, Jones SM, et al., 'A Faculty-Wide Collaborative Approach to Developing and Implementing a Generic Attributes Curriculum', TM 2006 program, November, Hobart, pp. 15-15. (2006) [Conference Extract] [eCite] [Details] Co-authors: Dermoudy J; Evans CE; Hannan GJ; Jones SM; Osborn JE
2006	Gardiner MG, James AN, Yates BF, 'Novel Access to Monovalent Group 13 Metal Complexes: Synthetic and Theoretical Studies of the Thermal Decomposition of Metallocyclopent-3-enes', Programme & Abstracts, OZOM3: 3rd Australian Symposium on Organometallic Chemistry, 8-11 January 2006, Monash University, pp. PM12. (2006) [Conference Extract] [eCite] [Details] Co-authors: Gardiner MG; James AN
2006	Gardiner MG, Stringer DN, Wang J, Yates BF, 'Theoretical studies of lanthanide imides stabilised by modified calix[4]pyrrolides', Programme & Abstracts, OZOM3: 3rd Australian Symposium on Organometallic Chemistry, 8-11 January 2006, Monash University, pp. PM17. (2006) [Conference Extract] [eCite] [Details] Co-authors: Gardiner MG; Stringer DN; Wang J
2006	Gardiner MG, Stringer DN, Wang J, Yates BF, 'Trans-dioxaporphyrinogen Stabilised Lanthanide Imides', Programme & Abstracts, OZOM3: 3rd Australian Symposium on Organometallic Chemistry, 8-11 January 2006, Monash University, pp. O6 (student oral presentation). (2006) [Conference Extract] [eCite] [Details] Co-authors: Gardiner MG; Stringer DN; Wang J
2006	Stack KR, Yates BF, 'Is molecular modelling the future for wet end chemistry?', 60th Appita Annual Conference and Exhibition Proceedings, 3-5 April 2006, Melbourne, pp. 427-433. ISBN 097574691X (2006) [Non Refereed Conference Paper] [eCite] [Details] Co-authors: Stack KR
2005	Amos RIJ, Dick AKJ, Frey A, Gardiner MG, Stringer DN, et al., 'Lanthanide metal complexes of modified calix[4]pyrrolides', Books of Abstracts, PacifiChem 2005, 15-20 Dec 2005, Waikiki, pp. 901. (2005) [Conference Extract] [eCite] [Details] Co-authors: Amos RIJ; Dick AKJ; Gardiner MG; Stringer DN; Wang J
2005	Gardiner MG, Stringer DN, Wang J, Yates BF, 'Trans-dioxaporphyrinogen stabilised lanthanide imides', Book of Abstracts, 2005 Inorganic Chemistry Symposium of the RACI Victorian Branch, 8 December 2005, University of Melbourne, pp. O5 (student oral presentation). (2005) [Conference Extract] [eCite] [Details] Co-authors: Gardiner MG; Stringer DN; Wang J
2005	Gardiner MG, Stringer DN, Yates BF, 'DFT Studies of Lanthanide Imide Complexes', Book of Abstracts, 2005 Inorganic Chemistry Symposium of the RACI Victorian Branch, 8 December 2005, University of Melbourne, pp. O21. (2005) [Conference Extract] [eCite] [Details] Co-authors: Gardiner MG; Stringer DN
2005	James AN, Gardiner MG, Yates BF, 'Novel Access to Monovalent Group 13 Metal Complexes: Synthetic and Theoretical Studies of the Thermal Decomposition of Metallocyclopent-3-enes', Book of Abstracts, 2005 Inorganic Chemistry Symposium of the RACI Victorian Branch, 8 December 2005, University of Melbourne, pp. P27. (2005) [Conference Extract] [eCite] [Details] Co-authors: James AN; Gardiner MG
2004	Anwander R, Cloke FGN, Gardiner MG, Wise LE, Yates BF, 'Developing 'New Look' Metallocenes: The use of o-Bound Heterocyclic Anions', Abstracts, CPC2004: Conference of the Royal Australian Chemical Institute Physical Chemistry Division, 1-5 February 2004, University of Tasmania, pp. P66. ISBN 1-862-95133-0 (2004) [Conference Extract] [eCite] [Details] Co-authors: Gardiner MG; Wise LE
2004	Anwander R, Cloke FGN, Gardiner MG, Wise LE, Yates BF, 'Introducing the 4-Azapentalenyl Anion: a o-Bound Heterocyclic Anion with Potential Far Beyond the Cyclopentadienyl Anion!', Programme & Abstracts, OZOM2: 2nd Australian Symposium on Organometallic Chemistry, 11-14 January 2004, University of Adelaide, pp. O30 (student oral presentation). (2004) [Conference Extract] [eCite] [Details] Co-authors: Gardiner MG; Wise LE
2004	Dick AKJ, Gardiner MG, Yates BF, Cloke FGN, Scherer W, 'Unsolvated Samarium Complexes', Programme & Abstracts, OZOM2: 2nd Australian Symposium on Organometallic Chemistry, 11-14 January 2004, University of Adelaide, pp. M4. (2004) [Conference Extract] [eCite] [Details] Co-authors: Dick AKJ; Gardiner MG
2003	Anwander R, Cloke FGN, Gardiner MG, Wise LE, Yates BF, 'Introducing the 4-Azapentalenyl Anion: a c-Bound Heterocyclic Anion with Potential Far Beyond the Cyclopentadienyl Anion!', Program and Conference Papers, IC03: Conference of the Royal Australian Chemical Institute Inorganic Division, 2-6 February 2003, University of Melbourne, pp. 153. (2003) [Conference Extract] [eCite] [Details] Co-authors: Gardiner MG; Wise LE
2003	Yates BF, Duke BJ, 'Computational Quantum Chemistry Experiments Via the Web', ICCS 2003, LNCS, 2-4 June, 2003, Melbourne, Australia and St. Petersburg, Russia, pp. 132-141. (2003) [Non Refereed Conference Paper] [eCite] [Details]
2002	Anwander R, Cloke FGN, Gardiner MG, Wise LE, Yates BF, 'Developing 'New Look' Metallocenes: The Use of o-Bound Heterocyclic Anions', Book of Abstracts, 20th International Conference on Organometallic Chemistry, 7-12 July 2002, Corfu International Conference Centre, Danillia, C, pp. P337. (2002) [Conference Extract] [eCite] [Details] Co-authors: Gardiner MG; Wise LE
2000	McGuinness DS, Cavell KJ, Saendig N, Yates BF, 'N-Heterocyclic Carbene Complexes for the Heck Reaction', PacificChem 2000, 13-18 December 2000, Hawaii, USA, pp. 88. (2000) [Conference Extract] [eCite] [Details] Co-authors: McGuinness DS; Cavell KJ
2000	Yates BF, 'Structural and Electronic Characterisation of the Organometallic Distonic Ion (C₆H₆Fe⁺(p-C₆H₄)·', 11th RACI, 6-11 February 2000, Canberra, Australia, pp. 43. (2000) [Conference Extract] [eCite] [Details]
2000	Yates BF, 'Structural and Electronic Characterisation of the Organometallic Distonic Ion (benzene)Fe⁺(para-benzyne) ', DFT2000, 11-14 June 2000, Menton, France, pp. 80. (2000) [Conference Extract] [eCite] [Details]
2000	Yates BF, 'Zirconium Catalysts for Nitrogen Fixation - How Good is the Model? (December)', MM2000, 6-8 December 2000, Melbourne, Australia, pp. 114. (2000) [Conference Extract] [eCite] [Details]
2000	Yates BF, Basch H, Musaev DG, Morokuma K, 'Zirconium Catalysts for Nitrogen Fixation - How Good is the Model? (June)', Xth ICQC, 5-9 June 2000, Menton, France, pp. 42. (2000) [Conference Extract] [eCite] [Details]
2000	Yates BF, Graham DC, Bruno RB, Katsifis A, Knott R, 'Early Diagnosis of Parkinson's Disease - a Realistic Goal?', 11th RACI, 6-11 February 2000, Canberra, Australia, pp. 42. (2000) [Conference Extract] [eCite] [Details] Co-authors: Graham DC; Bruno RB
2000	Yates BF, Lloyd T, Wong M, Cross G, Salter-Duke B, 'Flexible Delivery of Computational and Organic Chemistry', 11th RACI, 6-11 February 2000, Canberra, Australia, pp. 8. (2000) [Conference Extract] [eCite] [Details]
2000	Yates BF, Rackham JP, Cavell KJ, 'A Study of Bis-Nitrogen Chelating Ligans used for Catalysis', 11th RACI, 6-11 February 2000, Canberra, Australia, pp. 55. (2000) [Conference Extract] [eCite] [Details] Co-authors: Rackham JP; Cavell KJ
1999	Cavell KJ, Rackham JP, Yates BF, Kilner M, 'Novel bis-imidazole palladium catalysts. A study of their catalytic activity', Organometallic Chemistry in the South Pacific, 24-28 Jan 1999, Auckland NZ, pp. 55. (1999) [Conference Extract] [eCite] [Details] Co-authors: Cavell KJ; Rackham JP
1999	Rackham JP, Yates BF, Cavell KJ, 'A study of bis-nitrogen chelating ligands used for catalysts', World Assn of Theoretically Oriented Chemists 99, 1-6 Aug 99, London, pp. 575. (1999) [Conference Extract] [eCite] [Details] Co-authors: Rackham JP; Cavell KJ
1999	Yates BF, 'Nature of the metal-alkene bond in platinum complexes of strained olefins', World Assn of Theoretically Oriented Chemists 99, 1-6 Aug 99, London, pp. C.44. (1999) [Conference Extract] [eCite] [Details]
1997	Frankcombe KE, Cavell KJ, Knott RB, Yates BF, 'Carbon monoxide migratory insertion - a comparison of cationic and neutral palladium(II) complexes', Abstracts, Atlanta, USA, pp. P357. (1997) [Conference Extract] [eCite] [Details] Co-authors: Cavell KJ
1997	Frankcombe KE, Cavell KJ, Knott RB, Yates BF, 'Carbon monoxide migratory insertion', Abstracts, Berlin, Germany, pp. P39. (1997) [Conference Extract] [eCite] [Details] Co-authors: Cavell KJ
1997	Griffith R, Bremner JB, Yates BF, 'The Transannular N---C=O Interaction in Medium-sized Heterocycles', Abstracts, Athens, USA, pp. Ab.BFY. (1997) [Conference Extract] [eCite] [Details]
1996	Frankcombe KE, Cavell KJ, Knott RB, Yates BF, 'Theoretical modelling of carbonylation reactions: cationic versus neutral palladium-alkyl complexes', XVIIth International Conference on Organometallic Chemistry, Brisbane, Australia, pp. 118. (1996) [Conference Extract] [eCite] [Details] Co-authors: Cavell KJ
1996	Heard GL, Yates BF, 'Competing rearrangements of ammonium ylides: a quantum theoretical study', 15NOC, 15th National Organic Division Conference, Yeppoon, Australia, pp. 145. (1996) [Conference Extract] [eCite] [Details]
1995	Barnett VG, Banham PW, Yates BF, 'Inhibition of light-induced reversion of thermomechanical pulps using ethylene glycol bisthioglycolate', 49th Appita Annual General Conference, Hobart, Australia, pp. 143-150. (1995) [Non Refereed Conference Paper] [eCite] [Details]
1995	Eldershaw TPD, Clippingdale AB, Reardon BD, Blackman AJ, Yates BF, et al., 'Computer-aided drug design for new pharmacological targets in the treatment of obesity', Molecular Graphics and Modelling Society Conference, Cairns, Australia, pp. POS A 9. (1995) [Conference Extract] [eCite] [Details] Co-authors: Eldershaw TPD; Blackman AJ; Colquhoun EQ
1995	Frankcombe KE, Cavell KJ, Knott R, Yates BF, 'Carbonylation reactions of palladium catalysts', PacifiChem 95, Hawaii, pp. 10-763. (1995) [Conference Extract] [eCite] [Details] Co-authors: Cavell KJ
1995	Frankcombe KE, Yates BF, Cavell KJ, Knott RB, 'Competing reaction mechanisms involved in palladium catalysed carbonyl insertion', Molecular Quantum Mechanics Conference, Cambridge, England, pp. 88. (1995) [Conference Extract] [eCite] [Details] Co-authors: Cavell KJ
1995	Frankcombe KE, Yates BF, Knott RB, 'Large basis set calculations on model palladium systems', RACI Physical Chemistry Conference, Canberra, Australia, pp. 55. (1995) [Conference Extract] [eCite] [Details]
1995	Heard GL, Yates BF, 'Explicit incorporation of Solvent Molecules in Polarisable Continuum Calculations', RACI Physical Chemistry Conference, Canberra, Australia, pp. V40. (1995) [Conference Extract] [eCite] [Details]

Contract Report, Consultant's Report

(1 outputs)

Year	Citation	Altmetrics
1995	Yates BF, 'Computer study of chemical compounds', Vinidex Tubemakers, 1/95 (1995) [Consultants Report] [eCite] [Details]

Entry

(1 outputs)

Year	Citation	Altmetrics
1998	Heard GL, Yates BF, 'Rearrangement Reaction Mechanisms in Heterocyclic Chemistry', Encyclopaedia of Computational Chemistry, Wiley & Son (ed), USA, 1, pp. 2420-2432 (1998) [Entry] [eCite] [Details]

Other Public Output

(10 outputs)

Year	Citation	Altmetrics
2021	Melen RL, Dasgupta A, Stefkova K, Babaahmadi R, Yates BF, et al., 'Metal-free C-C couplings untangled', Chemical and Engineering News, American Chemical Society, Washington, DC, 99, 10, pp. 9-9. (2021) [Newspaper Article] [eCite] [Details] Co-authors: Babaahmadi R; Ariafard A
2012	Bedgood DR, Bridgeman AJ, Buntine M, Gardiner MG, Lim KF, et al., 'Developing leaders of change in the teaching of large university chemistry classes', Final Report for 2008 ALTC Leadership for Excellence in Learning and Teaching Program Developing leaders of change in the teaching of large university chemistry classes, Australian Learning and Teaching Council, Melbourne, pp. 1-64. (2012) [Government or Industry Research] [eCite] [Details] Co-authors: Gardiner MG Tweet
2012	Holmes JH, Jones SM, Yates BF, 'Being TEQSA Ready: Mapping helps provide the evidence', Campus Review, Australia, June 2012, June 2012 (2012) [Magazine Article] [eCite] [Details] Co-authors: Holmes JH; Jones SM
1998	Yates BF, 'Dean's Award for Research Excellence' (1998) [Award] [eCite] [Details]
1996	Barnett VG, Yates BF, 'A review of the structure of lignin and it's photochemical degradation', Chemistry of Pulp and Paper Making, Australian Newsprint Mills, Hobart, Australia, 1, 3/96 (1996) [Report of Restricted Access] [eCite] [Details]
1996	Barnett VG, Yates BF, 'Inhibition of photochemical degradation - studies of model compounds', Chemistry of Pulp and Paper Making, Australian Newsprint Mills, Hobart, Australia, 1, 4/96 (1996) [Report of Restricted Access] [eCite] [Details]
1996	Ginting YA, Yates BF, 'Molecular orbital study of pulp bleaching reactions: epoxidation of the model chromaphore cinnamaldehyde', Chemistry of Pulp and Paper Making, Australian Newsprint Mills, Hobart, Australia, 1, 1/96 (1996) [Report of Restricted Access] [eCite] [Details]
1995	Barnett VG, Banham P, Yates BF, 'Inhibition of light-induced reversion of thermomechanical pulps using ethylene glycol bisthioglycolate', Australian newsprint Mills, Hobart, Australia, 1, 1/95 (1995) [Report of Restricted Access] [eCite] [Details]
1995	Barnett VG, Banham P, Yates BF, 'A search for an artificial light source which closely resembles the photo-reversion responses of thermomechanical pulps exposed to sunlight', Australian Newsprint Mills, Hobart, Tasmania, 1, ?/95 (1995) [Report of Restricted Access] [eCite] [Details]
1995	Barnett VG, Yates BF, Banham P, 'Investigating the effect of ethylene glycol bisthioglycolate on the photoreversion of model lignin compounds', Australian Newsprint Mills, Hobart, Australia, 1, 2/95 (1995) [Report of Restricted Access] [eCite] [Details]

Grants & Funding

Brian has been successful in attracting funding from the ARC, DITAC, AINSE, ANSTO and The Australian Academy of Science. He has won an ARC Australian Research Fellowship, nine ARC Discovery Project grants, and two Linkage Project Grants.

Funding Summary

Number of grants

Total funding

$7,323,836

Projects

A Midas Touch for Electrophiles in New Reaction Development (2018 - 2020)$381,855

Funding: Australian Research Council ($381,855)
Scheme: Grant-Discovery Projects
Administered By: University of Tasmania
Research Team: Ariafard A; Yates BF; Hyland Christopher
Period: 2018 - 2020
Grant Reference: DP180100904

Binuclear Palladium Motifs in Synthetic Transformations (2012 - 2014)$290,000

Description: The role of Pd-Pd bonds in organopalladium chemistry and catalysis will be elucidated for a range of Pd oxidation states under both reducing and oxidising conditions. Systems studied will be directly related to applications known or proposed to involve binuclear species. Computational studies of structure and reactivity will be explored in an integrated way with synthetic and structural research, including elucidation of mechanisms for organic product formation, and the design of organic syntheses involving potential binuclear intermediates to prepare new materials.
Funding: Australian Research Council ($290,000)
Scheme: Grant-Discovery Projects
Administered By: University of Tasmania
Research Team: Canty AJ; Gardiner MG; Yates BF
Period: 2012 - 2014
Grant Reference: DP120101540

Colloid interactions and extraction in sustainable, water efficient paper manufacture (2012 - 2015)$535,000

Description: This project will investigate the causes of wood extractive deposits on modern high-speed printing surfaces. It will also develop alternatives to prevent their deposition in an environmentally sustainable manner, and to remove them from the paper making process allowing their utilisation as valuable natural products.
Funding: Australian Research Council ($340,000)
Scheme: Grant-Linkage Projects Round 2
Administered By: University of Tasmania
Research Team: Lewis TW; Higgins M; Molino P; Yates BF
Period: 2012 - 2015
Grant Reference: LP120200241

Metal complexes for activation and scission of small, multiply-bonded molecules (2012 - 2014)$410,000

Funding: Australian Research Council ($410,000)
Scheme: Grant-Discovery Projects
Administered By: Australian National University
Research Team: Stranger R; Yates BF
Period: 2012 - 2014
Grant Reference: DP120101937

2012: International Congress of Quantum Chemistry 2012 (2012)$1,500

Funding: University of Tasmania ($1,500)
Scheme: Grant-Conference Support Scheme
Administered By: University of Tasmania
Research Team: Yates BF
Year: 2012

Binuclear higher oxidation state palladium and platinum species in organometallic and organic synthesis reaction mechanisms (2011)$12,500

Funding: University of Tasmania ($12,500)
Scheme: Grant-Near Misses
Administered By: University of Tasmania
Research Team: Yates BF
Year: 2011

Metal Complexes for Activation and Scission of Small, Multiply-Bonded Molecules (2009 - 2011)$330,000

Funding: Australian Research Council ($330,000)
Scheme: Grant-Discovery Projects
Administered By: Australian National University
Research Team: Stranger R; Yates BF; Cummins C; Head-Gordon M
Period: 2009 - 2011
Grant Reference: DP0986529

Reduced Water Usage in the Australian Pulp and Paper Industry Through Novel Process Chemistry (2008 - 2010)$259,000

Funding: Australian Research Council ($160,000)
Scheme: Grant-Linkage Projects Round 1
Administered By: University of Tasmania
Research Team: Lewis TW; Yates BF; Garnier GB
Period: 2008 - 2010
Grant Reference: LP0882355

Nucleophilic Carbenes as Organocatalysts for Asymmetric Synthesis (2006 - 2008)$240,000

Funding: Australian Research Council ($240,000)
Scheme: Grant-Discovery Projects
Administered By: University of Tasmania
Research Team: Yates BF
Period: 2006 - 2008
Grant Reference: DP0664792

Metal Complexes for Activation and Scission of Small, Multiply-Bonded Molecules (2006 - 2008)$460,000

Funding: Australian Research Council ($460,000)
Scheme: Grant-Discovery Projects
Administered By: Australian National University
Research Team: Stranger R; Yates BF; Morokuma K; Head-Gordon M; Cummins C
Period: 2006 - 2008
Grant Reference: DP0663045

Can Acidity of Biological Compounds be Accurately and Rapidly Predicted? (2005)$15,000

Funding: University of Tasmania ($15,000)
Scheme: Grant-Institutional Research Scheme
Administered By: University of Tasmania
Research Team: Yates BF
Year: 2005

APAC Partnership Agreement -Tasmanian Partnership in Advanced Computing (TPAC) Centre for Expertise and Education Program (continuation) (2004 - 2006)$1,440,000

Funding: National Computational Infrastructure ($1,440,000)
Scheme: Institutional Partnership
Administered By: University of Tasmania
Research Team: Bindoff NL; Forbes LK; Yates BF; Matear R; He J; Warner RC; Smith N; Hirst T
Period: 2004 - 2006

Study of Molecular Interactions Between Wood Pitch Fixatives and Components of Wood Pitch (2004 - 2006)$277,000

Funding: Australian Research Council ($178,000)
Scheme: Grant-Linkage Projects Round 1
Administered By: University of Tasmania
Research Team: Haddad PR; Yates BF
Period: 2004 - 2006
Grant Reference: LP0453774

Activation and Scission of Small Molecules using Three-Coordinate Metal Complexes (2003 - 2005)$255,000

Funding: Australian Research Council ($255,000)
Scheme: Grant-Discovery Projects
Administered By: Australian National University
Research Team: Stranger R; Yates BF; Morokuma K
Period: 2003 - 2005
Grant Reference: DP0342577

High Performance Computing for Mathematics, Chemistry, Engineering and Climate Research (2002)$800,000

Funding: Australian Research Council ($675,000)
Collaborators: Antarctic Cooperative Research Centre ($100,000); Australian Antarctic Division ($25,000)
Scheme: Grant-Linkage Infrastructure
Administered By: University of Tasmania
Research Team: Forbes LK; Yates BF; Walker GJ; Paltridge GW; Budd WF; Bindoff NL; Warner RC
Year: 2002
Grant Reference: LE0239176

New Look N-Heterocyclic Metallocenes of the Lanthanides Based on 4-Azapentalenyl Anions (2002 - 2004)$245,000

Funding: Australian Research Council ($245,000)
Scheme: Grant-Discovery Projects
Administered By: University of Tasmania
Research Team: Gardiner MG; Yates BF; Anwander R
Period: 2002 - 2004
Grant Reference: DP0208832

Design of Radiopharmaceuticals for the Diagnosis of Melanoms (2002)$15,000

Funding: University of Tasmania ($15,000)
Scheme: Grant-Institutional Research Scheme
Administered By: University of Tasmania
Research Team: Yates BF
Year: 2002

Why are Carbene-based Catalysts so good and how can we make them better? (2001)$20,000

Funding: University of Tasmania ($20,000)
Scheme: Grant-Institutional Research Scheme
Administered By: University of Tasmania
Research Team: Yates BF
Year: 2001

Tasmanian Partnership in Advanced Computing (TPAC) Centre for Expertise and Education Program (2000 - 2003)$550,000

Funding: National Computational Infrastructure ($550,000)
Scheme: Institutional Partnership
Administered By: University of Tasmania
Research Team: Bindoff NL; Paltridge GW; Schiller A; Budd WF; Yates BF; Forbes LK
Period: 2000 - 2003

Novel Metal Carbene Complexes as Catalysts for the Formation of Specialty Chemicals (2000)$23,000

Funding: Australian Research Council ($23,000)
Scheme: Grant-Small
Administered By: University of Tasmania
Research Team: Yates BF; Cavell KJ
Year: 2000

Modelling of Radiopharmaceuticals for Tumour Diagnosis and Therapy (2000 - 2002)$0

Funding: Australian Institute of Nuclear Science & Engineering ($0)
Scheme: Grant-Research
Administered By: University of Tasmania
Research Team: Yates BF
Period: 2000 - 2002

Design of Radiopharmaceuticals for the Early Diagnosis of Parkinson's Disease (1999)$7,500

Funding: Australian Research Council ($7,500)
Scheme: Grant-Small
Administered By: University of Tasmania
Research Team: Yates BF
Year: 1999

Computer modelling of catalysts for copolymerisation of carbon monoxide and ethene (1998 - 2000)$167,378

Funding: Australian Research Council ($167,378)
Scheme: Grant-Large
Administered By: University of Tasmania
Research Team: Yates BF; Cavell KJ
Period: 1998 - 2000
Grant Reference: A29800109

Design of radiopharmaceuticals for the early detection of Parkinson's disease (1998)$10,000

Funding: Australian Research Council ($10,000)
Scheme: Grant-Small
Administered By: University of Tasmania
Research Team: Yates BF
Year: 1998

Modelling of Ligands for Dopamine Transporters (1998 - 1999)$0

Funding: Australian Institute of Nuclear Science & Engineering ($0)
Scheme: Grant-Research
Administered By: University of Tasmania
Research Team: Yates BF
Period: 1998 - 1999

Calculations on Technetium Ligands for the Dopamine Transporter (1998)$4,000

Funding: Australian Institute of Nuclear Science & Engineering ($4,000)
Scheme: Grant-Research
Administered By: University of Tasmania
Research Team: Yates BF
Year: 1998

Theoretical studies of homogeneous catalysis (1998)$9,000

Funding: Department of Industry, Tourism & Resources ($9,000)
Scheme: Grant-Bilateral Science & Technology Collaboration
Administered By: University of Tasmania
Research Team: Yates BF
Year: 1998

Modelling of Ligands for Dopamine Transporters. (1997)$10,460

Funding: Australian Institute of Nuclear Science & Engineering ($10,460)
Scheme: Grant-Research
Administered By: University of Tasmania
Research Team: Yates BF
Year: 1997

Computer modelling and the design of catalysts for carbonylation reactions involving palladium and platinum complexes. (1997 - 1999)$45,000

Funding: Australian Research Council ($45,000)
Scheme: Grant-Small
Administered By: University of Tasmania
Research Team: Yates BF; Cavell KJ
Period: 1997 - 1999

Fluorination of aromatic compounds (1996)$6,780

Funding: Australian Institute of Nuclear Science & Engineering ($6,780)
Scheme: Grant-Research
Administered By: University of Tasmania
Research Team: Yates BF
Year: 1996

Modelling of ligands for benzodiazepine receptor subtype selectivity (1996)$5,520

Funding: Australian Institute of Nuclear Science & Engineering ($5,520)
Scheme: Grant-Research
Administered By: University of Tasmania
Research Team: Yates BF
Year: 1996

Predicting binding constants in metal-ligand interactions (1996)$6,000

Funding: Australian Institute of Nuclear Science & Engineering ($6,000)
Scheme: Grant-Research
Administered By: University of Tasmania
Research Team: Yates BF
Year: 1996

Computer modelling and catalyst design in carbonylation reactions involving palladium (1996)$22,000

Funding: Australian Research Council ($22,000)
Scheme: Grant-Small
Administered By: University of Tasmania
Research Team: Yates BF
Year: 1996

Computer modelling of solvation effects on chemical reactions (1995)$3,940

Funding: Australian Institute of Nuclear Science & Engineering ($3,940)
Scheme: Grant-Research
Administered By: University of Tasmania
Research Team: Yates BF
Year: 1995

Theoretical studies of competing reactions in organic chemistry (1995)$16,000

Funding: University of Tasmania ($16,000)
Scheme: Grant-School of Science & Technology
Administered By: University of Tasmania
Research Team: Yates BF
Year: 1995

Special Travel Grant (1994)$650

Funding: Australian Institute of Nuclear Science & Engineering ($650)
Scheme: Grant-Special AMS
Administered By: University of Tasmania
Research Team: Yates BF
Year: 1994

Computer modelling and the design and development of catalyst systems (1994 - 1996)$23,082

Funding: Australian Institute of Nuclear Science & Engineering ($23,082)
Scheme: Grant-Scholarship supplement
Administered By: University of Tasmania
Research Team: Yates BF
Period: 1994 - 1996

Structure-activity studies and the design of biologically active compounds (1994)$581

Funding: University of Tasmania ($581)
Scheme: Grant-Collaborative
Administered By: University of Tasmania
Research Team: Yates BF
Year: 1994

Physical properties of bleached mechanical pulps (1992 - 1995)$80,381

Funding: Australian Research Council ($65,381)
Scheme: Grant-Scholarship: APA (Industry)
Administered By: University of Tasmania
Research Team: Yates BF
Period: 1992 - 1995
Grant Reference: AP92701

Computer-assisted control of reactions in organic chemistry (1991 - 1994)$230,145

Funding: Australian Research Council ($230,145)
Scheme: Fellowship-Research
Administered By: University of Tasmania
Research Team: Yates BF
Period: 1991 - 1994
Grant Reference: R29037251

Theoretical investigation of reaction mechanisms in synthetic and atmospheric organic chemistry (1991 - 1995)$95,409

Funding: Australian Research Council ($95,409)
Scheme: Grant-Large
Administered By: University of Tasmania
Research Team: Yates BF
Period: 1991 - 1995
Grant Reference: A29031185

The Development and Evaluation of Theoretical Molecular Models for the Binding of 5-HT3 and Adrenergic Drugs in the Brain (1991)$5,000

Funding: Australian Research Council ($5,000)
Scheme: Grant-Small
Administered By: University of Tasmania
Research Team: Yates BF
Year: 1991

Computer-assisted design of new heterocyclic compounds as potential medicinal & pharmacological agents (1990)$8,700

Funding: University of Tasmania ($8,700)
Scheme: Grant-New Staff Research Priming
Administered By: University of Tasmania
Research Team: Yates BF
Year: 1990

The development of new techniques for studying excited state reactions (1990)$6,455

Funding: Department of Industry, Tourism & Resources ($6,455)
Scheme: Grant-Collaboration in Biology & Biotechnology
Administered By: University of Tasmania
Research Team: Yates BF
Year: 1990

Research Supervision

Brian has successfully supervised to completion over 15 PhD students, 25 Honours students, 10 vacation students, and 7 students under the CSIRO Student Research Scheme. In collaboration with staff in Chemistry, Brian is an active supervisor of students in computational and organometallic chemistry.

Current

Completed

Current

Degree	Title	Commenced
PhD	Development and Optimisation of Transition Metal-based Catalytic Reactions	2018
PhD	Development and Optimization of Transition Metal-based Catalytic Reactions	2018

Completed

Degree	Title	Completed
PhD	Applications of Density Functional Theory (DFT) in Organic and Inorganic Reactions Candidate: Ali Gouranourimi	2020
PhD	An Evaluation and Redevelopment of Current Laboratory Practices: An in-depth study into the differences between learning and teaching styles Candidate: Reyne Pullen	2016
PhD	Organolanthanide Complexes of the Calix[2]phenylene[2]pyrrolide Macrocyclic Ligand Candidate: Adele Jane Wilson	2015
PhD	Steric and Electronic Investigations into Samarium (II) Dinitrogen, Heteroalkyne and Heterocycle Reductions Candidate: Adam Norman James	2011
PhD	Mixed Anion Lithium Complexes - Models for Superbases Candidate: Bryce James Lockhart-Gillett	2011
PhD	A Study of the Physical Chemistry of Acyl Radicals - Formation and Reactions Candidate: Ruth Irene Joan Amos	2010
PhD	New Synthetic Approaches to Indolizidine and Pyrrolidine Alkaloids Candidate: Brendon Scott Gourlay	2010
PhD	Studies on the Synthesis of Biologically Active, Small Molecule Natural Products Candidate: Peter Patrick Molesworth	2010
PhD	Regioselective Modification of Pyrroles - Applications Towards Lamellarins & Pyrrolidine Analogues Candidate: Sarah Man Yee Ng	2010
PhD	Scission of Small Multiply Bonded Molecules using Transition Metal Complexes. A DFT Study Candidate: Nigel John Brookes	2010
PhD	N-Heterocyclic Metallocenes of the Lanthanides Based on the 4-azapentalenyl anion Candidate: Lauren Emily Wise	2009
PhD	Synthetic and Theoretical Studies of Lanthanide Imide and Alkene Complexes Candidate: Damien Noel Stringer	2009
PhD	A Study of Wood Resin and Cationic Water Soluble Polymers: Wood Pitch Fixatives Candidate: Douglas Scott McLean	2008
PhD	The Synthesis and Decomoposition Behaviour of Methylpalladium(II) N-Heterocyclic Carbene Complexes Candidate: Alison Mary Magill	2005
PhD	The Influence of Heteroatom Substitution on Heterocyclic Carbenes and their Complexes Candidate: David Carl Graham	2003
PhD	Fundamental studies on the co-reaction of CO with unsaturated hydrocarbons Candidate: Melinda Jane Green	1999
PhD	The use of mercaptans for inhibiting the photo-induced reversioin of lignin-rich pulps and papers Candidate: Vicky Gail Barnett	1998
PhD	Computer modelling and the design and development of catalyst systems Candidate: Katrina Ellen Frankcombe	1997
PhD	Processes in alkaline bleaching of pinus radiata TMP Candidate: Yos Adiguna Ginting	1996
PhD	A theoretical investigation of organic rearrangements Candidate: George Lance Heard	1995
PhD	Title: Theory of Molecular Auger Spectroscopy Candidate: Elzbieta Zofia Chelkowska	1994