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Items where Subject is Field of Research, Chemical Sciences, Theoretical and Computational Chemistry, Quantum Chemistry

Journal Article
Amos, RIJ and Heinroth, F and Chan, B and Ward, AJ and Zheng, S and Haynes, BS and Easton, CJ and Masters, AF and Maschmeyer, T and Radom, L, Hydrogen from formic acid via its selective disproportionation over nanodomain-modified zeolites, ACS Catalysis, 5, (7) pp. 4353-4362. ISSN 2155-5435 (2015) [Refereed Article] 
Amos, RIJ and Chan, B and Easton, CJ and Radom, L, Hydrogen-atom abstraction from a model amino acid: dependence on the attacking radical, The Journal of Physical Chemistry B, 119, (3) pp. 783-788. ISSN 1520-6106 (2015) [Refereed Article] 
Amos, RIJ and Heinroth, F and Chan, B and Zheng, S and Haynes, BS and Easton, CJ and Masters, AF and Radom, L and Maschmeyer, T, Hydrogen from formic acid through its selective disproportionation over sodium germanate a non-transition-metal catalysis system, Angewandte Chemie International Edition, 53, (42) pp. 11275-11279. ISSN 1433-7851 (2014) [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]
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]
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] 
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, 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] 
Conference Publication
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] 
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 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] 

This list was generated on Thu Nov 21 18:33:47 2019.