Number of items: 237

Journal Article
Jalali, M and Shiri, F and Bissember, AC and Yates, BF and Ariafard, A, Bismuth(III)-catalysed hydroalkylation of styrene with acetylacetone: a DFT-Based mechanistic study, Molecular Physics Article e2093798. ISSN 0026-8976 (2022) [Refereed Article]
Dasgupta, A and Pahar, S and Babaahmadi, R and Gierlichs, L and Yates, BF and Ariafard, A and Melen, RL, Borane catalyzed selective diazo cross-coupling towards pyrazoles, Advanced Synthesis and Catalysis, 364, (4) pp. 773-780. ISSN 1615-4150 (2022) [Refereed Article]
Farshadfar, K and Gunawan, N and Shiri, F and Howard, JK and Vaas, APJP and Bissember, AC and Yates, BF and Smith, JA and Ariafard, A, Discovery of Periodinane Oxy-Assisted (POA) oxidation mechanism in the IBX-Controlled oxidative dearomatization of pyrroles mediated by acetic acid, The Journal of Organic Chemistry, 87 pp. 13280-13287. ISSN 0022-3263 (2022) [Refereed Article]
Babaahmadi, R and Dasgupta, A and Hyland, CJT and Yates, BF and Melen, RL and Ariafard, A, Understanding the influence of donor-acceptor diazo compounds on the catalyst efficiency of B(C6F5)3 towards carbene formation, Chemistry - A European Journal, 28, (11) Article e202104376. ISSN 0947-6539 (2022) [Refereed Article]
Jalali, M and Hyland, CJT and Bissember, AC and Yates, BF and Ariafard, A, Hydroalkylation of alkenes with 1,3-diketones via gold(III) or silver(I) catalysis: divergent mechanistic pathways revealed by a DFT-based investigation, ACS Catalysis, 11, (9) pp. 5795-5807. ISSN 2155-5435 (2021) [Refereed Article]
Jalali, M and Bissember, AC and Yates, BF and Wengryniuk, SE and Ariafard, A, Oxidation of electron-deficient phenols mediated by hypervalent iodine(V) reagents: fundamental mechanistic features revealed by a density functional theory-based investigation, Journal of Organic Chemistry, 86, (17) pp. 12237-12246. ISSN 0022-3263 (2021) [Refereed Article]
Dasgupta, A and Stefkova, K and Babaahmadi, R and Yates, BF and Buurma, N and Ariafard, A and Richards, E and Melen, RL, Site-selective Csp3-Csp/Csp3-Csp2 cross-coupling reactions using frustrated Lewis pairs, Journal of the American Chemical Society, 143, (11) pp. 4451-4464. ISSN 0002-7863 (2021) [Refereed Article]
Dasgupta, A and Babaahmadi, R and Pahar, S and Stefkova, K and Gierlichs, L and Yates, BF and Ariafard, A and Melen, RL, Tris(pentafluorophenyl)borane-catalyzed carbenium ion generation and autocatalytic pyrazole synthesis - a computational and experimental study, Angewandte Chemie - International Edition, 60, (46) pp. 24395-24399. ISSN 1433-7851 (2021) [Refereed Article]
Dasgupta, A and Babaahmadi, R and Slater, B and Yates, BF and Ariafard, A and Melen, RL, Borane-catalyzed stereoselective C-H Insertion, cyclopropanation, and ring-opening reactions, Chem, 6, (9) pp. 2364-2381. ISSN 2451-9308 (2020) [Refereed Article]
Babaahmadi, R and Jalali, M and Smith, JA and Yates, BF and Ariafard, A, How a bismuth(III) catalyst achieves greatest activation of organic Lewis bases in a catalytic reaction: insights from DFT calculations, ChemCatChem, 13, (3) pp. 975-980. ISSN 1867-3899 (2020) [Refereed Article]
Farshadfar, K and Chipman, A and Hosseini, M and Yates, BF and Ariafard, A, A modified cationic mechanism for PdCl2-catalyzed transformation of a homoallylic alcohol to an allyl ether, Organometallics, 38, (15) pp. 2953-2962. ISSN 0276-7333 (2019) [Refereed Article]
Farshadfar, K and Chipman, A and Yates, BF and Ariafard, A, DFT Mechanistic Investigation into BF3-Catalyzed Alcohol Oxidation by a Hypervalent Iodine(III) Compound, ACS Catalysis, 9, (7) pp. 6510-6521. ISSN 2155-5435 (2019) [Refereed Article]
Chipman, A and Farshadfar, K and Smith, JA and Yates, BF and Ariafard, A, DFT-based comparison between mechanistic aspects of amine and alcohol oxidation mediated by IBX, Journal of Organic Chemistry, 85, (2) pp. 515-525. ISSN 0022-3263 (2019) [Refereed Article]
Roohzadeh, R and Nasiri, B and Chipman, A and Yates, BF and Ariafard, A, Disclosure of some obscure mechanistic aspects of the copper-catalyzed click reactions involving N2 elimination promoted by the use of electron-deficient azides from a DFT perspective, Organometallics, 38, (2) pp. 256-267. ISSN 0276-7333 (2019) [Refereed Article]
Zamani, F and Babaahmadi, R and Yates, BF and Gardiner, MG and Ariafard, A and Pyne, SG and Hyland, CJT, Dual gold‐catalyzed cycloaromatization of unconjugated (E)‐enediynes, Angewandte Chemie, 58, (7) pp. 2114 -2119. ISSN 0044-8249 (2019) [Refereed Article]
Tavakkolifard, S and Sekine, K and Reichert, L and Ebrahimi, M and Museridz, K and Michel, E and Rominger, F and Babaahmadi, R and Ariafard, A and Yates, BF and Rudolph, M and Hashmi, ASK, Gold-catalyzed regiospecific annulation of unsymmetrically substituted 1,5-diynes for the precise synthesis of bispentalenes, Chemistry: A European Journal, 25, (52) pp. 12180-12186. ISSN 0947-6539 (2019) [Refereed Article]
Asgari, M and Hyland, CJT and Hashmi, ASK and Yates, BF and Ariafard, A, Proton supplier role of binuclear gold complexes in promoting hydrofunctionalisation of nonactivated alkenes, Catalysis Science & Technology, 9 pp. 1420-1426. ISSN 2044-4753 (2019) [Refereed Article]
Tabatabaie, ES and Dehghanpour, S and Mosaddegh, E and Babaahmadi, R and Chipman, A and Yates, BF and Ariafard, A, Rationale for the reactivity differences between main group and d0 transition metal complexes toward olefin polymerisation, Dalton Transactions, 48, (20) pp. 6997-7005. ISSN 1477-9226 (2019) [Refereed Article]
Chipman, A and Gouranourimi, A and Farshadfar, K and Olding, A and Yates, BF and Ariafard, A, A computational mechanistic investigation into reduction of gold(III) complexes by amino acid glycine: a new variant for amine oxidation, Chemistry, 24, (33) pp. 8361-8368. ISSN 1521-3765 (2018) [Refereed Article]
Plajer, AJ and Ahrens, L and Wieteck, M and Lustosa, DM and Babaahmadi, R and Yates, B and Ariafard, A and Rudolph, M and Rominger, F and Hashmi, ASK, Different selectivities in the insertions into C(sp2)-H bonds: Benzofulvenes by Dual Gold catalysis competition experiment, Chemistry, 24, (42) pp. 10766-10772. ISSN 1521-3765 (2018) [Refereed Article]
Gouranourimi, A and Chipman, A and Babaahmadi, R and Olding, A and Yates, BF and Ariafard, A, Nazarov cyclisations initiated by DDQ-oxidised pentadienyl ether: a mechanistic investigation from the DFT perspective, Organic & Biomolecular Chemistry, 16, (46) pp. 9021-9029. ISSN 1477-0520 (2018) [Refereed Article]
Chipman, A and Yates, BF and Canty, AJ and Ariafard, A, Reduction of a platinum (IV) prodrug model by sulfur containing biological reductants: computational mechanistic elucidation, Chemical Communications, 54, (74) pp. 10491-10494. ISSN 1359-7345 (2018) [Refereed Article]
Canty, AJ and Ariafard, A and Camasso, NM and Higgs, AT and Yates, BF and Sanford, MS, Computational study of C(sp3)-O bond formation at a PdIV centre, Dalton Transactions, 46, (11) pp. 3742-3748. ISSN 1477-9226 (2017) [Refereed Article]
Khaledifard, Y and Nasiri, B and Javidy, SA and Sereshk, AV and Yates, BF and Ariafard, A, Phosphine-scavenging role of gold(I) complexes from Pd(PtBu3)2 in the bimetallic catalysis of carbostannylation of alkynes, Organometallics, 36, (10) pp. 2014-2019. ISSN 0276-7333 (2017) [Refereed Article]
Pflasterer, D and Rudolph, M and Yates, BF and Ariafard, A and Hashmi, ASK, Total synthesis of (±)-dihydroisosubamol, Advanced Synthesis and Catalysis, 359, (5) pp. 866-874. ISSN 1615-4150 (2017) [Refereed Article]
Bagi, AH and Khaledi, Y and Ghari, H and Arndt, S and Hashmi, ASK and Yates, BF and Ariafard, A, A Mechanistic Investigation of the Gold(III)-Catalyzed Hydrofurylation of C-C Multiple Bonds, Journal of the American Chemical Society, 138, (44) pp. 14599-14608. ISSN 0002-7863 (2016) [Refereed Article]
Robinson Jr, R and Shaw, MF and Stranger, R and 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]
Canale, V and Robinson Jr, R and Zavras, A and Khairallah, GN and d'Alessandro, N and Yates, BF and O'Hair, RAJ, Two Spin-State Reactivity in the Activation and Cleavage of CO2 by [ReO2]-, Journal of Physical Chemistry Letters, 7, (10) pp. 1934-1938. ISSN 1948-7185 (2016) [Refereed Article]
Babaahmadi, R and Ghanbari, P and Rajabi, NA and Hashmi, ASK and Yates, BF and Ariafard, A, 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]
Canty, AJ and Ariafard, A and Yates, BF and 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]
Vikse, KL and Zavras, A and Thomas, TH and Ariafard, A and Khairallah, GN and Canty, AJ and Yates, BF and O'Hair, RAJ, 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]
Robinson Jr, R and Abbasi, KK and Ariafard, A and Stranger, R and 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]
Pullen, R and Yates, BF and 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]
Ariafard, A and Rajabi, NA and Atashgah, MJ and Canty, AJ and 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]
Woolley, M and Ariafard, A and Khairallah, GN and Kwan, KH-Y and Donnelly, PS and White, JM and Canty, AJ and Yates, BF and O'Hair, RAJ, 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]
McGuinness, DS and Chan, B and Britovsek, GJP and 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]
Lotz, MD and Remy, MS and Lao, DB and Ariafard, A and Yates, BF and Canty, AJ and Mayer, JM and Sanford, MS, 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]
Ichiishi, N and Canty, AJ and Yates, BF and 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]
Shaw, MF and Mahdizadeh Ghohe, N and Ariafard, A and Brookes, NJ and Stranger, R and Yates, BF, NO2 bond cleavage by MoL3 complexes, Dalton Transactions, 43, (4) pp. 1620-1629. ISSN 1477-9226 (2014) [Refereed Article]
Cavigliasso, G and Criddle, A and Kim, H-S and Stranger, R and 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]
Ariafard, A and Ghari, H and Bagi, AH and Canty, AJ and 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]
Doddridge, EW and Forbes, LK and Yates, BF, Chemical kinetics of a bipalladium complex, Journal of Physical Chemistry A, 117, (3) pp. 541-549. ISSN 1089-5639 (2013) [Refereed Article]
Ichiishi, N and Canty, AJ and Yates, BF and Sanford, MS, Cu-catalyzed fluorination of diaryliodonium salts with KF, Organic Letters, 15, (19) pp. 5134-5137. ISSN 1523-7060 (2013) [Refereed Article]
Canty, AJ and Ariafard, A and Sanford, MS and 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]
Amos, RIJ and Gourlay, BS and Yates, BF and Schiesser, CH and Lewis, TW and Smith, JA, 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]
Woolley, MJ and Khairallah, GN and da Silva, G and Donnelly, PS and Yates, BF and O'Hair, RAJ, 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]
Robinson Jr, R and McGuinness, DS and 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]
Ariafard, A and Ghohe, NM and Abbasi, KK and Canty, AJ and Yates, BF, Theoretical investigation into the mechanism of 3'-dGMP oxidation by [PtIVCl4(dach)], Inorganic Chemistry, 52, (2) pp. 707-717. ISSN 0020-1669 (2013) [Refereed Article]
Ghorbani, N and Mahdizadeh Ghohe, N and Torabi, S and Yates, BF and 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]
Batebi, H and Zarkoob, F and Daraei, K and Yates, BF and 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]
Powers, DC and Lee, E and Ariafard, A and Sanford, MS and Yates, BF and Canty, AJ and Ritter, T, 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]
Ariafard, A and Tabatabaie, ES and Aghmasheh, S and Najaflo, S and 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]
Cavigliasso, G and Stranger, R and 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]
Rifkin, W and Sharma, M and Crampton, A and Yates, B and Matthews, K and Beames, S and Varsavsky, C and Johnson, E and Jones, S and Zadnik, M and Pyke, S, 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]
Sharma, M and Ariafard, A and Canty, AJ and Yates, BF and Gardiner, MG and Jones, RC, 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]
Rijs, NJ and Brookes, NJ and O'Hair, RAJ and 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]
Ariafard, A and Asadollah, E and Ostadebrahim, M and Rajabi, NA and 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]
Ariafard, A and Tabatabaie, ES and Monfared, AT and Assar, SHA and Hyland, CJT and Yates, BF, Theoretical investigation into the palladium-catalyzed silaboration of pyridines, Organometallics, 31, (5) pp. 1680-1687. ISSN 0276-7333 (2012) [Refereed Article]
Cavigliasso, G and Christian, GJ and Stranger, R and 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]
Amos, RIJ and Smith, JA and Yates, BF and 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]
Ariafard, A and Zarkoob, F and Batebi, H and Stranger, R and 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]
Ariafard, A and Brookes, NJ and Stranger, R and 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]
Ariafard, A and Ejehi, Z and Sadrara, H and Mehrabi, T and Etaati, S and Moradzadeh, A and Moshtaghi, M and Nosrati, H and Brookes, NJ and Yates, BF, 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]
Terrett, R and Cavigliasso, G and Stranger, R and 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]
Sharma, M and Andrea, T and Brookes, NJ and Yates, BF and 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]
Jones, RC and Chojnacka, MW and Quail, JW and Gardiner, MG and Decken, A and Yates, BF and Gossage, RA, 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]
Besora, M and Gourlaouen, C and Yates, B and 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]
Karpiniec, SS and McGuinness, DS and Gardiner, MG and Yates, BF and 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]
Ariafard, A and Hyland, CJT and Canty, AJ and Sharma, M and 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]
Gallego, G and Ariafard, A and Tran, K and Sandoval, D and Choi, L and Chen, YH and Yates, BF and Tao, FM and Hyland, CJT, Titanium-mediated rearrangement of cyclopropenylmethyl acetates to (E)-halodienes, Organic & Biomolecular Chemistry, 9, (9) pp. 3359-3363. ISSN 1477-0520 (2011) [Refereed Article]
Brookes, NJ and Ariafard, A and Stranger, R and 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]
Cavigliasso, G and Wilson, L and McAlpine, S and Attar, M and Stranger, R and Yates, BF, 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]
Ariafard, A and Brookes, NJ and Stranger, R and Boyd, PDW and 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]
Rijs, NJ and Yates, BF and O'Hair, RAJ, Dimethylcuprate undergoes a dyotropic rearrangement, Chemistry: A European Journal, 16, (9) pp. 2674-2678. ISSN 0947-6539 (2010) [Refereed Article]
Seraya, E and Slack, E and Ariafard, A and Yates, BF and 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]
Brookes, NJ and Whited, MT and Ariafard, A and Stranger, R and Grubbs, RH and Yates, BF, Factors dictating carbene formation at (PNP)Ir, Organometallics, 29, (19) pp. 4239-4250. ISSN 0276-7333 (2010) [Refereed Article]
Bedgood, DR and Yates, BF and Buntine, M and Pyke, S and Lim, KF and Mocerino, M and Zadnik, M and Southam, D and Bridgeman, AJ and Gardiner, MG and Morris, G, Leading Change in Australian Science Teaching, Chemistry in Australia, 77, (5) pp. 18-19. ISSN 0314-4240 (2010) [Professional, Non Refereed Article]
Ariafard, A and Hyland, CJT and Canty, AJ and Sharma, M and Brookes, NJ and Yates, BF, Ligand effects in bimetallic high oxidation state palladium systems, Inorganic Chemistry, 49, (23) pp. 11249-11253. ISSN 0020-1669 (2010) [Refereed Article]
Boyd, PDW and Edwards, AJ and Gardiner, MG and Ho, CC and Lemee-Cailleau, MH and McGuinness, DS and Riapanitra, A and Steed, JW and Stringer, DN and Yates, BF, 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]
Brookes, NJ and Ariafard, A and Stranger, R and 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]
Bedgood, DR and Gardiner, MG and Yates, BF and Bridgeman, AJ and Morris, G and Buntine, M and Mocerino, M and Southam, D and Pyke, SM and Lim, KF and Zadnik, M, 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]
Christian, G and Stranger, R and 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]
Cavigliasso, G and Christian, G and Stranger, R and 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]
Amos, RIJ and Smith, Jason and Yates, BF and Schiesser, CH, Acyl radical addition to pyridine: multiorbital interactions, Tetrahedron, 65, (36) pp. 7653-7657. ISSN 0040-4020 (2009) [Refereed Article]
Brookes, NJ and Ariafard, A and Stranger, R and 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]
Christian, G and Terrett, RNL and Stranger, R and Cavigliasso, G and 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]
Ariafard, A and 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]
Ariafard, A and Tabatabaie, ES and 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]
Amos, RIJ and Schiesser, CH and Smith, Jason and Yates, BF, Nucleophilic Acyl Substitution of Acyl Diimides, Journal of Organic Chemistry, 74, (15) pp. 5707-5710. ISSN 0022-3263 (2009) [Refereed Article]
Brookes, NJ and Ariafard, A and Stranger, R and Yates, BF, Reactivity of CO2 towards Mo[N(R)Ph)3], Dalton Transactions, 2009, (42) pp. 9266-9272. ISSN 1477-9226 (2009) [Refereed Article]
Ariafard, A and 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]
Brookes, NJ and Graham, DC and Christian, G and Stranger, R and 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]
Amos, RIJ and Gourlay, BS and Schiesser, CH and Smith, Jason and 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]
Ariafard, A and Brookes, NJ and Stranger, R and 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]
Ariafard, A and Brookes, NJ and Stranger, R and 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]
Addicoat, MA and Buntine, MA and Yates, BF and 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]
Christian, G and Stranger, R and Yates, BF and 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]
Gossage, R and Jenkins, HA and Jones, ND and Jones, Roderick and 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]
Hawkes, KJ and Cavell, KJ and Yates, BF, Rhodium-Catalyzed C-C Coupling Reactions: Mechanistic Considerations, Organometallics, 27, (18) pp. 4758-4771. ISSN 0276-7333 (2008) [Refereed Article]
Hawkes, KJ and 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]
Stack, KR and Yates, BF, The use of molecular modelling in studying pitch deposition, Appita Journal, 61, (3) pp. 203-227. ISSN 1038-6807 (2008) [Refereed Article]
Normand, AT and Hawkes, KJ and Clement, ND and Cavell, KJ and 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]
Christian, G and Stranger, R and Petrie, S and Yates, BF and 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]
Frey, A and Gardiner, MG and Stringer, DN and Yates, BF and George, AV and Jensen, P and Turner, P, 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]
Christian, G and Stranger, R and Yates, BF and 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]
Graham, DC and Cavell, KJ and 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]
Christian, G and Stranger, R and Yates, BF and 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]
Magill, AM and Yates, BF and Cavell, KJ and Skelton, BW and 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. 3398-3406. ISSN 1477-9226 (2007) [Refereed Article]
Yates, BF, Computational Organic Chemistry, Annual Reports on the Progress of Chemistry. Section B: Organic Chemistry , 102 pp. 219-246. ISSN 0069-3030 (2006) [Non Refereed Article]
Stranger, R and 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]
Christian, GJ and Stranger, R and 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]
Yates, BF and Basch, H and Musaev, DG and 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]
Graham, DC and Cavell, KJ and 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]
Yates, BF, Computational Organic Chemistry, Annual Reports on the Progress of Chemistry. Section B: Organic Chemistry, 101 pp. 210-234. ISSN 0069-3030 (2005) [Non Refereed Article]
Graham, DC and Cavell, KJ and Yates, BF, Dimerization mechanisms of heterocyclic carbenes, Journal of Physical Organic Chemistry, 18, (4) pp. 298-309. ISSN 0894-3230 (2005) [Refereed Article]
Graham, DC and Cavell, KJ and 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]
Christian, G and Stranger, R and Yates, BF and 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]
Graham, DC and Beran, GJO and Head-Gordon, M and Christian, G and Stranger, R and Yates, BF, 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]
Jones, RC and Madden, RL and Skelton, BW and Tolhurst, V and White, AH and Williams, AM and Wilson, AJ and Yates, BF, 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]
Bermingham, MJ and Cloke, FGN and Gardiner, MG and Hitchcock, PB and Wise, LE and Yates, BF, Structural studies of Group 1 metal 4-azapentalenyl complexes, Dalton Transactions, 2005, (7) pp. 1157-1158. ISSN 1477-9226 (2005) [Refereed Article]
Humphrey, MG and Lockhart-Gillett, BJ and Samoc, M and Skelton, BW and Tolhurst, V and White, AH and Wilson, AJ and Yates, BF, 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]
Magill, AM and 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]
Vercoe, DQ and Stack, KR and Blackman, AJ and Yates, BF and 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]
Magill, AM and Cavell, KJ and 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]
Yates, BF, Computational Chemistry and Spectroscopy, Australian Journal of Chemistry, 57, (12) pp. 1117-1118. ISSN 0004-9425 (2004) [Non Refereed Article]
Yates, BF, Computational Organic Chemistry, Annual Reports on the Progress of Chemistry. Section B: Organic Chemistry, 100 pp. 251-283. ISSN 0069-3030 (2004) [Non Refereed Article]
Graham, DC and 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]
Wang, J and Dick, AKJ and Gardiner, MG and Yates, BF and Peacock, EJ and Skelton, BW and White, AH, 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]
Tuttle, CTT and Seabrook, SA and Wise, LE and Katsifis, A and Knott, RB and Yates, BF, 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]
Hawkes, KJ and McGuinness, DS and Cavell, KJ and 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]
Yates, BF, Computational organic chemistry, Annual Reports on the Progress of Chemistry. Section B: Organic Chemistry, 99 pp. 292-325. ISSN 0069-3030 (2003) [Non Refereed Article]
Yates, BF, Computational Organic Chemistry, Annual Reports on the Progress of Chemistry. Section B: Organic Chemistry, 98 pp. 607-638. ISSN 0069-3030 (2002) [Refereed Article]
Nielsen, DJ and Magill, AM and Yates, BF and Cavell, KJ and Skelton, BW and White, AH, 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]
Barnett, VG and Banham, P and 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]
McGuinness, DS and Yates, BF and 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]
Yates, BF, Computational organometallic chemistry, Chemistry in Australia, (August) pp. 16-18. ISSN 0314-4240 (2001) [Professional, Non Refereed Article]
McGuinness, DS and Saendig, NS and Yates, BF and 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]
Yates, BF, Olefin strain energies and platinum complexes of highly pyramidalised alkenes, Journal of Organometallic Chemistry, 635, (1-2) pp. 142-152. ISSN 0022-328X (2001) [Refereed Article]
McGuinness, DS and Cavell, KJ and Yates, BF and Skelton, BW and 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]
McGuinness, DS and Cavell, KJ and 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]
Bremner, JB and Coban, B and Griffith, R and Groenewoud, KM and 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]
Yates, BF, Structural and electronic characterisation of the organometallic distonic ion (C6H6)Fe+(p-C6H4) , International Journal of Mass Spectrometry, 201, (1-3) pp. 297-395. ISSN 1387-3806 (2000) [Refereed Article]
Yates, BF, The platinum-ethylene binding energy in Pt(PL3)2(C2H4) , Journal of Molecular Structure (Theochem), 506 pp. 223-232. ISSN 0166-1280 (2000) [Refereed Article]
Hambley, TW and Frankcombe, KE and Yates, BF and Cavell, KJ and 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]
Uddin, J and Dapprich, S and Frenking, G and 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]
Yates, BF, An early diagnosis of Parkinson's disease?, Chemistry in Australia, 65, (6) pp. 41. ISSN 0314-4240 (1998) [Professional, Non Refereed Article]
Green, MJ and Britovsek, GJP and Cavell, KJ and Gerhards, F and Yates, BF and Frankcombe, KE and Skelton, BW and White, AH, 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]
Bruno, RB and Graham, DC and Yates, BF, Computational methods for predicting biological activity, Chemistry in Australia, 65, (11) pp. 12-14. ISSN 0314-4240 (1998) [Professional, Non Refereed Article]
Hertwig, RH and Koch, W and 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]
Salter-Duke, BJ and Wong, MG and Lloyd, EJ and Yates, BF and Cross, BJ, Learning Computational Chemistry via the Internet, 2 pp. 31-33. ISSN 1443-4482 (1998) [Edited Journal]
Griffith, R and Yates, BF and Bremner, JB and 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]
Frankcombe, KE and Cavell, KJ and Yates, BF and 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]
Frankcombe, KE and Cavell, KJ and Knott, RB and 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]
Heard, GL and 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]
Sun, Y-P and Yates, BF and Abbot, J and 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]
Heard, GL and 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]
Frankcombe, KE and Cavell, KJ and Yates, BF and 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]
Sun, Y-P and Yates, BF and Abbot, J and 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]
Barnett, VG and Banham, P and 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]
Frankcombe, KE and Cavell, KJ and Knott, RB and 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]
Heard, GL and 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]

Chapter in Book
Yates, BF and Gardiner, MG, First Year Chemistry Language Support at the University of Tasmania, Sustainable Language Support Practices in Science Education: Technologies and Solutions, Information Science Reference, F Zhang, BA Lidbury, AM Richardson, BF Yates, MG Gardiner, AJ Bridgeman, J Schulte, J Rodger, K Mate (ed), United States of America, pp. 58-79. ISBN 978-1-61350-062-0 (2012) [Research Book Chapter]
Dermoudy, J and Jones, S and Osborn, J and Yates, B and Geraghty, D and Dearden, C, 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]
Yates, BF, Integrating doctoral candidates into research teams, Supervising Doctorates, ACER Press, Cary Denholm and Terry Evans (ed), Melbourne, pp. 105-112. ISBN 9780864314307 (2007) [Other Book Chapter]

Conference Publication
Jones, SM and Skalicky, JL and West, ML and Fraser, SP and Walls, JT and Yates, BF, 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]
Kelder, J-A and Jones, SM and 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]
Jones, SM and Yates, BF and Kelder, J-A, Learning and teaching academic standards for science: Where are we now?, Proceedings of the Australian Conference on Science and Mathematics Education, 2012, University of Sydney, Australia, pp. 105-109. ISBN 978-0-9871834-1-5 (2012) [Refereed Conference Paper]
Hannan, GJ and Kelder, J-A and Jones, SM and Yates, BF and Dermoudy, J and Osborn, JE and Lane, PA and Acuna, TL and Pullen, R, 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]
Yates, BF and 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]
Gardiner, MG and James, AN and 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]
Gardiner, MG and Lockhart-Gillett, BJ and 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]
Jones, SM and Casper, RM and Dermoudy, J and Osborn, JE and 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]
Gardiner, MG and Lockhart-Gillett, BJ and 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]
Jones, SM and Casper, RM and Dermoudy, J and Osborn, JE and 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]
Riapanitra, A and Boyd, PDW and Edwards, AJ and Gardiner, MG and Lemee-Cailleau, MH and McGuinness, DS and Stringer, DN and Yates, BF, 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]
Riapanitra, A and Boyd, PDW and Edwards, AJ and Gardiner, MG and Lemee-Cailleau, MH and McGuinness, DS and Stringer, DN and Yates, BF, 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]
Gardiner, MG and Lockhart-Gillett, BJ and 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]
Jones, SM and 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]
Bedgood, DR and Bridgeman, AJ and Lim, KF and Morris, G and Yates, BF and Yates, BF and Gardiner, MG and Pyke, S and Buntine, M and Mocerino, M and Zadnik, M, 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]
Yates, BF and 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]
Zhang, F and Lidbury, B and Schulte, J and Bridgeman, AJ and Rodgers, J and Yates, BF, 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]
Amos, RIJ and Dick, AKJ and Frey, A and Powanusorn, S and Stringer, DN and Wang, Jun and Yates, BF and Gardiner, MG, 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]
Gardiner, MG and Lockhart-Gillett, BJ and 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]
Jones, SM and Dermoudy, J and Hannan, GJ and James, SA and Osborn, JE and Yates, BF and Evans, CE, 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]
Gardiner, MG and Stringer, DN and 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]
Gardiner, MG and Stringer, DN and 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]
Gardiner, MG and James, AN and 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]
Gardiner, MG and Lockhart-Gillett, BJ and 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]
Dermoudy, J and Evans, CE and Hannan, GJ and James, S and Jones, SM and Osborn, JE and Yates, BF, A Faculty-Wide Collaborative Approach to Developing and Implementing a Generic Attributes Curriculum, TM 2006 program, November, Hobart, pp. 15-15. (2006) [Conference Extract]
Stack, KR and 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]
Gardiner, MG and James, AN and 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]
Gardiner, MG and Stringer, DN and Wang, J and 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]
Gardiner, MG and Stringer, DN and Wang, J and 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]
Gardiner, MG and Stringer, DN and 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]
Amos, RIJ and Dick, AKJ and Frey, A and Gardiner, MG and Stringer, DN and Wang, J and Yates, BF, Lanthanide metal complexes of modified calix[4]pyrrolides, Books of Abstracts, PacifiChem 2005, 15-20 Dec 2005, Waikiki, pp. 901. (2005) [Conference Extract]
James, AN and Gardiner, MG and 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]
Gardiner, MG and Stringer, DN and Wang, J and 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]
Anwander, R and Cloke, FGN and Gardiner, MG and Wise, LE and 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]
Anwander, R and Cloke, FGN and Gardiner, MG and Wise, LE and 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]
Dick, AKJ and Gardiner, MG and Yates, BF and Cloke, FGN and 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]
Yates, BF and 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]
Anwander, R and Cloke, FGN and Gardiner, MG and Wise, LE and 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]
Anwander, R and Cloke, FGN and Gardiner, MG and Wise, LE and 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]
McGuinness, DS and Cavell, KJ and Saendig, N and Yates, BF, N-Heterocyclic Carbene Complexes for the Heck Reaction, PacificChem 2000, 13-18 December 2000, Hawaii, USA, pp. 88. (2000) [Conference Extract]
Yates, BF and Rackham, JP and 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]
Yates, BF and Graham, DC and Bruno, RB and Katsifis, A and Knott, R, Early Diagnosis of Parkinson's Disease - a Realistic Goal?, 11th RACI, 6-11 February 2000, Canberra, Australia, pp. 42. (2000) [Conference Extract]
Yates, BF and Lloyd, T and Wong, M and Cross, G and Salter-Duke, B, Flexible Delivery of Computational and Organic Chemistry, 11th RACI, 6-11 February 2000, Canberra, Australia, pp. 8. (2000) [Conference Extract]
Yates, BF, Structural and Electronic Characterisation of the Organometallic Distonic Ion (benzene)Fe+(para-benzyne) , DFT2000, 11-14 June 2000, Menton, France, pp. 80. (2000) [Conference Extract]
Yates, BF, Structural and Electronic Characterisation of the Organometallic Distonic Ion (C6H6Fe+(p-C6H4)·, 11th RACI, 6-11 February 2000, Canberra, Australia, pp. 43. (2000) [Conference Extract]
Yates, BF, Zirconium Catalysts for Nitrogen Fixation - How Good is the Model? (December), MM2000, 6-8 December 2000, Melbourne, Australia, pp. 114. (2000) [Conference Extract]
Yates, BF and Basch, H and Musaev, DG and 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]
Rackham, JP and Yates, BF and 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]
Yates, BF, Nature of the metal-alkene bond in platinum complexes of strained olefins, World Assn of Theoretically Oriented Chemists 99, 1-6 Aug 99, London, pp. C.44. (1999) [Conference Extract]
Cavell, KJ and Rackham, JP and Yates, BF and 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]
Frankcombe, KE and Cavell, KJ and Knott, RB and Yates, BF, Carbon monoxide migratory insertion, Abstracts, Berlin, Germany, pp. P39. (1997) [Conference Extract]
Frankcombe, KE and Cavell, KJ and Knott, RB and Yates, BF, Carbon monoxide migratory insertion - a comparison of cationic and neutral palladium(II) complexes, Abstracts, Atlanta, USA, pp. P357. (1997) [Conference Extract]
Griffith, R and Bremner, JB and Yates, BF, The Transannular N---C=O Interaction in Medium-sized Heterocycles, Abstracts, Athens, USA, pp. Ab.BFY. (1997) [Conference Extract]
Heard, GL and Yates, BF, Competing rearrangements of ammonium ylides: a quantum theoretical study, 15NOC, 15th National Organic Division Conference, Yeppoon, Australia, pp. 145. (1996) [Conference Extract]
Frankcombe, KE and Cavell, KJ and Knott, RB and 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]
Frankcombe, KE and Cavell, KJ and Knott, R and Yates, BF, Carbonylation reactions of palladium catalysts, PacifiChem 95, Hawaii, pp. 10-763. (1995) [Conference Extract]
Frankcombe, KE and Yates, BF and Cavell, KJ and Knott, RB, Competing reaction mechanisms involved in palladium catalysed carbonyl insertion, Molecular Quantum Mechanics Conference, Cambridge, England, pp. 88. (1995) [Conference Extract]
Eldershaw, TPD and Clippingdale, AB and Reardon, BD and Blackman, AJ and Yates, BF and Colquhoun, EQ, 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]
Heard, GL and Yates, BF, Explicit incorporation of Solvent Molecules in Polarisable Continuum Calculations, RACI Physical Chemistry Conference, Canberra, Australia, pp. V40. (1995) [Conference Extract]
Barnett, VG and Banham, PW and 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]
Frankcombe, KE and Yates, BF and Knott, RB, Large basis set calculations on model palladium systems, RACI Physical Chemistry Conference, Canberra, Australia, pp. 55. (1995) [Conference Extract]

Other Public Output
Melen, RL and Dasgupta, A and Stefkova, K and Babaahmadi, R and Yates, BF and Buurma, N and Ariafard, A and Richards, E, Metal-free C-C couplings untangled, Chemical and Engineering News, American Chemical Society, Washington, DC, 99, 10, pp. 9-9. (2021) [Newspaper Article]
Holmes, JH and Jones, SM and Yates, BF, Being TEQSA Ready: Mapping helps provide the evidence, Campus Review, Australia, June 2012, June 2012 (2012) [Magazine Article]
Bedgood, DR and Bridgeman, AJ and Buntine, M and Gardiner, MG and Lim, KF and Mocerino, M and Morris, G and Pyke, S and Southam, D and Yates, BF and Zadnik, M, 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]
Yates, BF, Dean's Award for Research Excellence (1998) [Award]
Barnett, VG and 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]
Barnett, VG and 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]
Ginting, YA and 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]
Barnett, VG and Banham, P and 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]
Barnett, VG and Banham, P and 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]
Barnett, VG and Yates, BF and 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]

This list was generated on Mon May 29 22:32:16 2023.