Profiles

Brian Yates

UTAS Home Professor Brian Yates
Brian Yates

Brian Yates

Adjunct Professor

Off-Campus

Contact by email (phone)

Brian.Yates@utas.edu.au

Achievements

Brian Yates completed postdoctoral fellowships at the University of California, Berkeley and the University of Georgia before coming to the University of Tasmania in 1989. His research is supported by grants from the Australian Research Council and he is a member of the Australian Research Council College of Experts (Physics, Chemistry and Earth Sciences panel). He is chair of the grants allocation committee of the National Computational Infrastructure, which provides national supercomputing resources for researchers across Australia. In 2010, Brian was appointed as an Australian Learning and Teaching Council Discipline Scholar in Science to help develop Learning and Teaching Academic Standards in Science.

Additional Information

Research Interests

In my research group, computational chemistry is used in the understanding of organic and organometallic reaction mechanisms. Quantum chemistry (both ab initio and density functional theory) is used to calculate relative energy surfaces, and electronic and magnetic properties of compounds. We obtain detailed information about the structures and energies of molecules, reactive intermediates, and transition structures, as a way of investigating reaction mechanisms and understanding and predicting experimental results. Studies have included palladium-catalysed reactions and the activation of nitrogen by transition metals.

Research Areas:

Current and Supervised Project/s:

  • Breaking down greenhouse gases
  • Computational Organometallic Chemistry

Publications

  • 'Tuning the Laplaza-Cummins 3-coordinate M[N(R)Ph]3 catalyst to activate and cleave CO2', Brookes, N.J.; Ariafard, A.; Stranger, R.; Yates, B.F., Dalton Trans., 2011, 40 (20), 5569-5578.
  • 'Theoretical Investigation into the Mechanism of Reductive Elimination from Bimetallic Palladium Complexes', Ariafard, A.; Hyland, C. J. T.; Canty, A. J.; Sharma, M.; Yates, B. F., Inorg. Chem., 2011, 50 (14), 6449–6457.
  • 'Factors Dictating Carbene Formation at (PNP)Ir', Brookes, N.J.; Whited, M.T; Ariafard, A.; Stranger, R.; Grubbs, R.H.; Yates, B.F., Organometallics, 2010, 29, 4239-4250.

View more on Professor Brian Yates in WARP

Research Fields

  • Organometallic Chemistry (039904)
  • Transition Metal Chemistry (030207)
  • Theoretical and Computational Chemistry (030799)
  • Quantum Chemistry (030701)
  • Catalysis and Mechanisms of Reactions (030601)
  • f-Block Chemistry (030202)
  • Industrial Chemistry (039903)
  • Physical Organic Chemistry (030505)
  • Medicinal and Biomolecular Chemistry (030499)
  • Higher Education (130103)
  • Science, Technology and Engineering Curriculum and Pedagogy (130212)
  • Main Group Metal Chemistry (030204)
  • Education (139999)
  • Organic Chemical Synthesis (030503)
  • Colloid and Surface Chemistry (030603)
  • Structural Chemistry and Spectroscopy (030606)
  • Free Radical Chemistry (030501)
  • Chemical Thermodynamics and Energetics (030602)
  • Curriculum and Pedagogy Theory and Development (130202)
  • Palaeoclimatology (040605)
  • Separation Science (030108)
  • Reaction Kinetics and Dynamics (030703)
  • Electrochemistry (030604)
  • Bacteriology (060501)
  • Earth Sciences (049999)
  • Bioinorganic Chemistry (030201)
  • Chemical Sciences (039999)
  • Medical Biotechnology (100499)
  • Microbiology (060599)
  • Oceanography (040599)
  • Information Retrieval and Web Search (080704)
  • Glaciology (040602)
  • Gene Expression (incl. Microarray and other genome-wide approaches) (060405)
  • Ship and Platform Hydrodynamics (091104)
  • Electroanalytical Chemistry (030102)
  • Theory and Design of Materials (030307)
  • Timber, Pulp and Paper (091210)
  • Cheminformatics and Quantitative Structure-Activity Relationships (030404)
  • Medical Biochemistry: Proteins and Peptides (incl. Medical Proteomics) (110106)

Research Impact

  • Expanding Knowledge in the Chemical Sciences (970103)
  • Organic Industrial Chemicals (excl. Resins, Rubber and Plastics) (860604)
  • Wood, Wood Products and Paper (860599)
  • Learner and Learning Processes (930102)
  • Industrial Chemicals and Related Products (860699)
  • Pulp and Paper (860503)
  • Education and Training Systems (930599)
  • Education and Training (939999)
  • Teaching and Instruction (930299)
  • Human Diagnostics (860802)
  • Food Safety (920406)
  • Assessment and Evaluation of Curriculum (930301)
  • Social Impacts of Climate Change and Variability (960311)
  • Human Pharmaceutical Treatments (e.g. Antibiotics) (860803)
  • Teacher and Instructor Development (930202)
  • Nervous System and Disorders (920111)
  • Diagnostic Methods (920203)
  • Atmosphere and Weather (960299)
  • Learner Development (930103)
  • Dairy Cattle (830302)
  • Inorganic Industrial Chemicals (860602)
  • Rubber and Synthetic Resins (860608)
  • Health Education and Promotion (920205)
  • Environmentally Sustainable Manufacturing (869899)
  • Climate Change Adaptation Measures (960301)
  • Climate Variability (excl. Social Impacts) (960304)
  • Antarctic and Sub-Antarctic Land and Water Management (960901)
  • Nautical Equipment (excl. Yachts) (861303)
  • Human Pharmaceutical Products (860899)
  • Plant Production and Plant Primary Products (829999)
  • Wood Sawing and Veneer (860505)
  • Primary Mining and Extraction of Mineral Resources (840299)
  • Cancer and Related Disorders (920102)
  • Plastic Products (incl. Construction Materials) (860607)
  • Management of Greenhouse Gas Emissions from Manufacturing Activities (869802)
  • Plastics in Primary Forms (860606)
  • Printing and Publishing Processes (860502)
  • Diabetes (920104)

Publications

Total publications

209

Highlighted publications

(5 outputs)
YearTypeCitationAltmetrics
2013Journal ArticleIchiishi 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 - 61Web of Science - 60

Co-authors: Canty AJ

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2011Journal ArticleAriafard 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 - 41Web of Science - 42

Co-authors: Ariafard A; Brookes NJ

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2008Journal ArticleHawkes 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 - 53Web of Science - 49

Co-authors: Hawkes KJ

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2004Journal ArticleMagill 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 - 290Web of Science - 288

Co-authors: Magill AM; Cavell KJ

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2001Journal ArticleMcGuinness DS, Saendig NS, Yates BF, Cavell KJ, 'Kinetic and Density Functional Studies on Alkyl-Carbene Elimination from PdII 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 - 200Web of Science - 196

Co-authors: McGuinness DS; Cavell KJ

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Journal Article

(134 outputs)
YearCitationAltmetrics
2016Robinson 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]

Co-authors: Robinson Jr R; Shaw MF

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2015BabaAhmadi 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 - 3Web of Science - 2

Co-authors: Ariafard A

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2015Robinson 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 - 1Web of Science - 1

Co-authors: Robinson Jr R; Ariafard A

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2015Vikse 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 - 1Web of Science - 1

Co-authors: Ariafard A; Canty AJ

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2015Canty 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 - 5Web of Science - 5

Co-authors: Canty AJ; Ariafard A

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2014Ariafard A, Rajabi NA, Atashgah MJ, Canty AJ, Yates BF, 'Computational study of carbostannylation implicating bimetallic catalysis involving 'AuI-vinyl-PdII' species', ACS Catalysis, 4, (3) pp. 860-869. ISSN 2155-5435 (2014) [Refereed Article]

DOI: 10.1021/cs400836v [eCite] [Details]

Citations: Scopus - 2Web of Science - 2

Co-authors: Ariafard A; Canty AJ

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2014Cavigliasso 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 - 4Web of Science - 3

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2014Lotz 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 - 14Web of Science - 14

Co-authors: Ariafard A; Canty AJ

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2014McGuinness 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 - 2Web of Science - 2

Co-authors: McGuinness DS

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2014Pullen 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 - 2

Co-authors: Pullen R; Dicinoski GW

2014Shaw 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

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2014Woolley 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 - 5Web of Science - 5

Co-authors: Ariafard A; Canty AJ

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2014Ariafard 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 - 1Web of Science - 1

Co-authors: Ariafard A; Canty AJ

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2014Ichiishi N, Canty AJ, Yates BF, Sanford MS, 'Mechanistic investigations of Cu-catalyzed fluorination of diaryliodonium salts: elaborating the CuI/CuII manifold in copper catalysis', Organometallics, 33, (19) pp. 5525-5534. ISSN 0276-7333 (2014) [Refereed Article]

DOI: 10.1021/om5007903 [eCite] [Details]

Citations: Scopus - 12Web of Science - 12

Co-authors: Canty AJ

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2013Batebi H, Zarkoob F, Daraei K, Yates BF, Ariafard A, 'Understanding the mechanism of CuI-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 - 2

Co-authors: Ariafard A

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2013Ichiishi 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 - 61Web of Science - 60

Co-authors: Canty AJ

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2013Doddridge 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

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2013Ghorbani 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 - 4Web of Science - 4

Co-authors: Ariafard A

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2013Ariafard A, Ghohe NM, Abbasi KK, Canty AJ, Yates BF, 'Theoretical investigation into the mechanism of 3'-dGMP oxidation by [PtIVCl4(dach)]', Inorganic Chemistry: including bioinorganic chemistry, 52, (2) pp. 707-717. ISSN 0020-1669 (2013) [Refereed Article]

DOI: 10.1021/ic3018425 [eCite] [Details]

Citations: Scopus - 13Web of Science - 13

Co-authors: Ariafard A; Canty AJ

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2013Robinson 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 - 8Web of Science - 9

Co-authors: Robinson Jr R; McGuinness DS

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2013Woolley 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 - 9Web of Science - 9

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2013Amos 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 - 2Web of Science - 2

Co-authors: Amos RIJ; Gourlay BS; Lewis TW; Smith JA

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2013Canty 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 - 27Web of Science - 27

Co-authors: Canty AJ; Ariafard A

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2012Ariafard 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 - 7Web of Science - 7

Co-authors: Ariafard A; Hyland CJT

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2012Cavigliasso 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 - 3Web of Science - 3

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2012Powers 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 - 77Web of Science - 77

Co-authors: Ariafard A; Canty AJ

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2012Rifkin 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

2012Rijs 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 - 6Web of Science - 7

Co-authors: Brookes NJ

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2012Sharma 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 - 8Web of Science - 8

Co-authors: Sharma M; Ariafard A; Canty AJ; Gardiner MG; Jones RC

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2012Ariafard 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 - 22Web of Science - 22

Co-authors: Ariafard A

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2012Ariafard 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 - 4Web of Science - 5

Co-authors: Ariafard A

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2011Ariafard 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 - 41Web of Science - 42

Co-authors: Ariafard A; Brookes NJ

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2011Ariafard 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 - 15Web of Science - 15

Co-authors: Ariafard A; Brookes NJ

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2011Ariafard 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 - 28Web of Science - 28

Co-authors: Ariafard A; Hyland CJT; Canty AJ; Sharma M

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2011Ariafard 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 - 21Web of Science - 19

Co-authors: Ariafard A

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2011Amos 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 - 3Web of Science - 3

Co-authors: Amos RIJ; Smith JA

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2011Brookes 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 - 7Web of Science - 6

Co-authors: Brookes NJ; Ariafard A

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2011Cavigliasso 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 - 7

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2011Gallego 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 - 4Web of Science - 2

Co-authors: Ariafard A; Hyland CJT

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2011Jones 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 - 4Web of Science - 4

Co-authors: Jones RC; Gardiner MG; Gossage RA

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2011Karpiniec 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 - 7Web of Science - 6

Co-authors: Karpiniec SS; McGuinness DS; Gardiner MG

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2011Sharma 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 - 33Web of Science - 33

Co-authors: Sharma M; Brookes NJ

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2011Terrett 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 - 7Web of Science - 5

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2011Besora 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 - 21Web of Science - 18

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2010Ariafard 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 - 12Web of Science - 12

Co-authors: Ariafard A; Brookes NJ; Boyd PDW

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2010Bedgood 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]

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Co-authors: Gardiner MG

2010Bedgood 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]

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Co-authors: Gardiner MG

2010Boyd 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 - 26Web of Science - 24

Co-authors: Boyd PDW; Gardiner MG; Ho CC; McGuinness DS; Riapanitra A; Stringer DN

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2010Brookes 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 - 5Web of Science - 5

Co-authors: Brookes NJ; Ariafard A

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2010Brookes 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 - 10Web of Science - 12

Co-authors: Brookes NJ; Ariafard A

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2010Cavigliasso 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 - 13Web of Science - 11

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2010Rijs 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 - 29Web of Science - 28

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2010Seraya 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 - 19Web of Science - 18

Co-authors: Ariafard A; Hyland CJT

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2010Ariafard 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 - 25Web of Science - 25

Co-authors: Ariafard A; Hyland CJT; Canty AJ; Sharma M; Brookes NJ

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2009Brookes 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 - 10

Co-authors: Brookes NJ; Ariafard A

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2009Amos 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

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2009Ariafard 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 - 22Web of Science - 2

Co-authors: Ariafard A

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2009Ariafard 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 - 36Web of Science - 40

Co-authors: Ariafard A

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2009Brookes 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 - 33Web of Science - 32

Co-authors: Brookes NJ; Ariafard A

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2009Ariafard 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 - 5Web of Science - 5

Co-authors: Ariafard A

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2009Brookes 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 - 19Web of Science - 18

Co-authors: Brookes NJ; Graham DC

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2009Cavigliasso 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 - 10

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2009Christian 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 - 11Web of Science - 11

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2009Christian 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 - 8Web of Science - 8

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2009Amos 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 - 5

Co-authors: Amos RIJ; Smith Jason

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2008Addicoat 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 - 7Web of Science - 7

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2008Amos 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 - 18Web of Science - 19

Co-authors: Amos RIJ; Gourlay BS; Smith Jason

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2008Ariafard 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 - 10Web of Science - 10

Co-authors: Ariafard A; Brookes NJ

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2008Ariafard 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 - 28Web of Science - 28

Co-authors: Ariafard A; Brookes NJ

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2008Christian 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

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2008Gossage 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 - 11Web of Science - 12

Co-authors: Gossage R; Jones Roderick

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2008Hawkes 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 - 19Web of Science - 19

Co-authors: Hawkes KJ; Cavell KJ

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2008Hawkes 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 - 53Web of Science - 49

Co-authors: Hawkes KJ

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2008Stack 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]

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Co-authors: Stack KR

2007Christian 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 - 15Web of Science - 15

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2007Christian 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 - 12Web of Science - 12

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2007Frey 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 - 13Web of Science - 12

Co-authors: Gardiner MG; Stringer DN

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2007Graham 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 - 22Web of Science - 27

Co-authors: Graham DC; Cavell KJ

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2007Magill 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 - 12Web of Science - 20

Co-authors: Magill AM; Cavell KJ

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2007Normand 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 - 53Web of Science - 54

Co-authors: Hawkes KJ

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2007Christian 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 - 12Web of Science - 13

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2006Graham 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 - 30Web of Science - 46

Co-authors: Graham DC; Cavell KJ

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2006Yates 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]

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2006Yates 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 - 11

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2006Christian 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 - 24Web of Science - 24

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2006Stranger 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 - 6Web of Science - 6

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2005Christian 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 - 16Web of Science - 20

Co-authors: Graham DC

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2005Graham 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 - 32Web of Science - 31

Co-authors: Graham DC

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2005Graham 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 - 29Web of Science - 29

Co-authors: Graham DC; Cavell KJ

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2005Graham 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 - 23Web of Science - 33

Co-authors: Graham DC; Cavell KJ

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2005Humphrey 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 - 15Web of Science - 12

Co-authors: Lockhart-Gillett BJ; Tolhurst V; Wilson AJ

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2005Jones 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 - 22Web of Science - 20

Co-authors: Jones RC; Madden RL; Tolhurst V; Williams AM; Wilson AJ

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2005Bermingham 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 - 2Web of Science - 3

Co-authors: Bermingham MJ; Gardiner MG; Wise LE

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2005Yates 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]

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2004Graham 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

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2004Magill 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 - 290Web of Science - 288

Co-authors: Magill AM; Cavell KJ

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2004Magill AM, Yates BF, 'An Assessment of Theoretical Protocols for Calculation of the pKa 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 - 70Web of Science - 69

Co-authors: Magill AM

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2004Tuttle 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

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2004Hawkes 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 - 16

Co-authors: Hawkes KJ; McGuinness DS; Cavell KJ

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2004Wang 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 - 19

Co-authors: Wang J; Dick AKJ; Gardiner MG; Peacock EJ

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2004Yates BF, 'Computational Chemistry and Spectroscopy', Australian Journal of Chemistry, 57, (12) pp. 1117-1118. ISSN 0004-9425 (2004) [Non Refereed Article]

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2004Yates 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]

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2004Vercoe 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 - 12Web of Science - 6

Co-authors: Vercoe DQ; Stack KR; Blackman AJ

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2003Yates 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]

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2002Barnett 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]

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Citations: Web of Science - 2

2002McGuinness 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 - 26Web of Science - 24

Co-authors: McGuinness DS

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2002Nielsen 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 - 56

Co-authors: Nielsen DJ; Magill AM

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2002Yates 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

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2001McGuinness 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 - 96

Co-authors: McGuinness DS; Cavell KJ

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2001McGuinness DS, Saendig NS, Yates BF, Cavell KJ, 'Kinetic and Density Functional Studies on Alkyl-Carbene Elimination from PdII 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 - 200Web of Science - 196

Co-authors: McGuinness DS; Cavell KJ

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2001Yates 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 - 10Web of Science - 9

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2001Yates BF, 'Computational organometallic chemistry', Chemistry in Australia, (August) pp. 16-18. ISSN 0314-4240 (2001) [Professional, Non Refereed Article]

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2001McGuinness 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 - 196Web of Science - 192

Co-authors: McGuinness DS; Cavell KJ

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2000Bremner 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 - 63Web of Science - 58

Co-authors: Groenewoud KM

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2000Hambley 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

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2000Yates 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 - 20

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2000Yates 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

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1999Uddin 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: Web of Science - 48

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1998Bruno 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

1998Green 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: Web of Science - 46

Co-authors: Britovsek GJP; Cavell KJ

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1998Hertwig 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

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1998Salter-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]

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1998Yates 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]

1997Frankcombe 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 - 27Web of Science - 24

Co-authors: Cavell KJ

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1997Griffith 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 - 5Web of Science - 6

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1996Frankcombe 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: Web of Science - 8

Co-authors: Cavell KJ

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1996Frankcombe 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

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1996Heard 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

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1996Heard 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 - 15Web of Science - 11

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1996Sun 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 - 12Web of Science - 8

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1996Sun 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

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1995Barnett 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]

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1995Frankcombe 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

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1995Heard 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: Web of Science - 11

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Chapter in Book

(3 outputs)
YearCitationAltmetrics
2012Dermoudy 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

2012Yates 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 (an imprint of IGI Global), 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]

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Co-authors: Gardiner MG

2007Yates 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]

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Conference Publication

(61 outputs)
YearCitationAltmetrics
2012Hannan GJ, Kelder JC, 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]

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Co-authors: Hannan GJ; Kelder JC; Jones SM; Dermoudy J; Osborn JE; Lane PA; Acuna TL; Pullen R

2012Jones 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]

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Co-authors: Jones SM; Skalicky JL; West ML; Fraser SP; Walls JT

2012Kelder JC, 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]

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Co-authors: Kelder JC; Jones SM

2012Jones SM, Yates BF, Kelder J, '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]

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Co-authors: Jones SM; Kelder J

2011Gardiner 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]

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Co-authors: Gardiner MG; Lockhart-Gillett BJ

2011Gardiner 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]

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Co-authors: Gardiner MG; James AN

2011Yates 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]

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Co-authors: Jones SM

2010Gardiner 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]

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Co-authors: Gardiner MG; Lockhart-Gillett BJ

2010Gardiner 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]

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Co-authors: Gardiner MG; Lockhart-Gillett BJ

2010Jones 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]

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Co-authors: Jones SM; Casper RM; Dermoudy J; Osborn JE

2010Jones 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]

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Co-authors: Jones SM; Casper RM; Dermoudy J; Osborn JE

2010Jones 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]

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Co-authors: Jones SM

2010Riapanitra 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]

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Co-authors: Riapanitra A; Gardiner MG; McGuinness DS; Stringer DN

2010Riapanitra 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]

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Co-authors: Riapanitra A; Gardiner MG; McGuinness DS; Stringer DN

2009Yates 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]

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Co-authors: Gardiner MG

2009Zhang 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]

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2009Bedgood 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

2008Gardiner 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]

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Co-authors: Gardiner MG; Lockhart-Gillett BJ

2008Amos 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]

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Co-authors: Amos RIJ; Dick AKJ; Stringer DN; Wang Jun; Gardiner MG

2007Gardiner 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

2007Gardiner 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

2007Gardiner 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

2007Jones 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]

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Co-authors: Jones SM; Dermoudy J; Hannan GJ; James SA; Osborn JE; Evans CE

2007Gardiner 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

2006Gardiner 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]

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Co-authors: Gardiner MG; James AN

2006Gardiner 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]

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Co-authors: Gardiner MG; Stringer DN; Wang J

2006Gardiner 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]

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Co-authors: Gardiner MG; Stringer DN; Wang J

2006Stack 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]

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Co-authors: Stack KR

2006Dermoudy 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

2005Amos 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

2005Gardiner 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

2005Gardiner 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

2005James 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

2004Anwander 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]

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Co-authors: Gardiner MG; Wise LE

2004Anwander 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]

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Co-authors: Gardiner MG; Wise LE

2004Dick 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]

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Co-authors: Dick AKJ; Gardiner MG

2003Yates 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]

2003Anwander 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

2002Anwander 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]

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Co-authors: Gardiner MG; Wise LE

2000Yates 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]

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2000Yates 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]

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2000McGuinness 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]

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Co-authors: McGuinness DS; Cavell KJ

2000Yates 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]

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2000Yates 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]

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Co-authors: Graham DC; Bruno RB

2000Yates 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]

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2000Yates 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]

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Co-authors: Rackham JP; Cavell KJ

2000Yates BF, 'Zirconium Catalysts for Nitrogen Fixation - How Good is the Model? (December)', MM2000, 6-8 December 2000, Melbourne, Australia, pp. 114. (2000) [Conference Extract]

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1999Cavell 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]

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Co-authors: Cavell KJ; Rackham JP

1999Rackham 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]

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Co-authors: Rackham JP; Cavell KJ

1999Yates 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]

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1997Frankcombe 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]

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Co-authors: Cavell KJ

1997Griffith R, Bremner JB, Yates BF, 'The Transannular N---C=O Interaction in Medium-sized Heterocycles', Abstracts, Athens, USA, pp. Ab.BFY. (1997) [Conference Extract]

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1997Frankcombe KE, Cavell KJ, Knott RB, Yates BF, 'Carbon monoxide migratory insertion', Abstracts, Berlin, Germany, pp. P39. (1997) [Conference Extract]

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Co-authors: Cavell KJ

1996Frankcombe 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]

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Co-authors: Cavell KJ

1996Heard 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]

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1995Heard GL, Yates BF, 'Explicit incorporation of Solvent Molecules in Polarisable Continuum Calculations', RACI Physical Chemistry Conference, Canberra, Australia, pp. V40. (1995) [Conference Extract]

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1995Eldershaw 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]

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Co-authors: Eldershaw TPD; Blackman AJ; Colquhoun EQ

1995Frankcombe 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

1995Frankcombe 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]

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Co-authors: Cavell KJ

1995Frankcombe KE, Yates BF, Knott RB, 'Large basis set calculations on model palladium systems', RACI Physical Chemistry Conference, Canberra, Australia, pp. 55. (1995) [Conference Extract]

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1995Barnett 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]

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Contract Report, Consultant's Report

(1 outputs)
YearCitationAltmetrics
1995Yates BF, 'Computer study of chemical compounds', Vinidex Tubemakers, 1/95 (1995) [Consultants Report]

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Entry

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

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Other Public Output

(9 outputs)
YearCitationAltmetrics
2012Bedgood 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]

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Co-authors: Gardiner MG

2012Holmes JH, Jones SM, Yates BF, 'Being TEQSA Ready: Mapping helps provide the evidence', Campus Review, Australia, June 2012, June 2012 (2012) [Magazine Article]

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Co-authors: Holmes JH; Jones SM

1998Yates BF, 'Dean's Award for Research Excellence' (1998) [Award]

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1996Barnett 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]

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1996Barnett 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]

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1996Ginting 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]

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1995Barnett 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]

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1995Barnett 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]

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1995Barnett 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]

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Grants & Funding

Funding Summary

Number of grants

44

Total funding

$8,303,981

Projects

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
Rapid method development in pharmaceutical analysis using Quality-by-Design principles (2012 - 2015)$1,362,000
Description
This project will generate innovative and significant approaches to accelerate and revolutionise the development of chromatographic methods of analysis pivotal in the design and production of pharmaceuticals. The selection of the optimal chromatographic system will be undertaken by relating chemical structures to chromatographic retention, enabling rapid, computerised screening and evaluation. The chosen analytical method will then be fully optimised using Quality-by-Design principles which will enhance the robustness of the developed methods and their transferability between laboratories. The project aims to design and evaluate algorithms and new software.
Funding
Australian Research Council ($542,000)
Collaborators
Pfizer ($500,000); Thermo Fisher Scientific Australia ($320,000)
Scheme
Grant-Linkage Projects Round 2
Administered By
University of Tasmania
Research Team
Haddad PR; Yates BF
Period
2012 - 2015
Grant Reference
LP1220700
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 RJ; 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

Current

1

Completed

19

Current

DegreeTitleCommenced
PhDAn Evaluation and Redevelopment of Current Laboratory Practices: An in-depth study into the differences between learning and teaching styles2012

Completed

DegreeTitleCompleted
PhDOrganolanthanide Complexes of the Calix[2]phenylene[2]pyrrolide Macrocyclic Ligand
Candidate: Adele Jane Wilson
2015
PhDSteric and Electronic Investigations into Samarium (II) Dinitrogen, Heteroalkyne and Heterocycle Reductions
Candidate: Adam Norman James
2011
PhDMixed Anion Lithium Complexes - Models for Superbases
Candidate: Bryce James Lockhart-Gillett
2011
PhDA Study of the Physical Chemistry of Acyl Radicals - Formation and Reactions
Candidate: Ruth Irene Joan Amos
2010
PhDNew Synthetic Approaches to Indolizidine and Pyrrolidine Alkaloids
Candidate: Brendon Scott Gourlay
2010
PhDStudies on the Synthesis of Biologically Active, Small Molecule Natural Products
Candidate: Peter Patrick Molesworth
2010
PhDRegioselective Modification of Pyrroles - Applications Towards Lamellarins & Pyrrolidine Analogues
Candidate: Sarah Man Yee Ng
2010
PhDScission of Small Multiply Bonded Molecules using Transition Metal Complexes. A DFT Study
Candidate: Nigel John Brookes
2010
PhDN-Heterocyclic Metallocenes of the Lanthanides Based on the 4-azapentalenyl anion
Candidate: Lauren Emily Wise
2009
PhDSynthetic and Theoretical Studies of Lanthanide Imide and Alkene Complexes
Candidate: Damien Noel Stringer
2009
PhDA Study of Wood Resin and Cationic Water Soluble Polymers: Wood Pitch Fixatives
Candidate: Douglas Scott McLean
2008
PhDThe Synthesis and Decomoposition Behaviour of Methylpalladium(II) N-Heterocyclic Carbene Complexes
Candidate: Alison Mary Magill
2005
PhDThe Influence of Heteroatom Substitution on Heterocyclic Carbenes and their Complexes
Candidate: David Carl Graham
2003
PhDFundamental studies on the co-reaction of CO with unsaturated hydrocarbons
Candidate: Melinda Jane Green
1999
PhDThe use of mercaptans for inhibiting the photo-induced reversioin of lignin-rich pulps and papers
Candidate: Vicky Gail Barnett
1998
PhDComputer modelling and the design and development of catalyst systems
Candidate: Katrina Ellen Frankcombe
1997
PhDProcesses in alkaline bleaching of pinus radiata TMP
Candidate: Yos Adiguna Ginting
1996
PhDA theoretical investigation of organic rearrangements
Candidate: George Lance Heard
1995
PhDTitle: Theory of Molecular Auger Spectroscopy
Candidate: Elzbieta Zofia Chelkowska
1994