Browsing by Author Chan, Bun

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Issue DateTitleAuthor(s)Citation
2017Accelerated protein synthesis via one-pot ligation-deselenization chemistryChan, Bun; Clayton, Daniel; Goldys, Anna; Kulkarni, Sameer; Mitchell, Nicholas Joe; Payne, Richard; Radom, Leo; Sayers, Jessica; Barbosa Pereira, Pedro Jose; Ripoll-Rozada, Jorge; Chemistry; Chemistry; Chemistry; Chemistry; Chemistry; Chemistry; Chemistry; ChemistryAccelerated protein synthesis via one-pot ligation-deselenization chemistry, Chem, vol.2, 5, 2017,pp 703-715
2013Accurate Computation of Cohesive Energies for Small to Medium-Sized Gold ClustersChan, Bun; Wai-Leung, Yim; ChemistryAccurate Computation of Cohesive Energies for Small to Medium-Sized Gold Clusters, Journal of Chemical Theory and Computation, vol.9, 4, 2013,pp 1964-1970
2014Accurate quadruple-zeta basis-set approximation for double-hybrid density functional theory with an order of magnitude reduction in computational costChan, Bun; Radom, Leo; Chemistry; ChemistryAccurate quadruple-zeta basis-set approximation for double-hybrid density functional theory with an order of magnitude reduction in computational cost, Theoretical Chemistry Accounts: theory, computation and modeling, vol.133, 2, 2014,pp 1-10
2016Alpha-hydrogen abstraction by •OH and •SH radicals from amino acids and their peptide derivativesChan, Bun; Radom, Leo; Easton, Christopher J; Karton, Amir; Chemistry; ChemistryAlpha-hydrogen abstraction by •OH and •SH radicals from amino acids and their peptide derivatives, Journal of Chemical Theory and Computation, vol.12, 4, 2016,pp 1606-1613
2012Approaches for obtaining accurate rate constants for hydrogen abstraction by a chlorine atomChan, Bun; Radom, Leo; Chemistry; ChemistryApproaches for obtaining accurate rate constants for hydrogen abstraction by a chlorine atom, The Journal of Physical Chemistry Part A: Molecules, Spectroscopy, Kinetics, Environment and General Theory, vol.116, 14, 2012,pp 3745-3752
2011Assessment of theoretical procedures for hydrogen-atom abstraction by chlorine, and related reactionsChan, Bun; Radom, Leo; Chemistry; ChemistryAssessment of theoretical procedures for hydrogen-atom abstraction by chlorine, and related reactions, Theoretical Chemistry Accounts: theory, computation and modeling, vol.130, 2-3, 2011,pp 251-260
2005Base-catalyzed hydrogenation: Rationalizing the effects of catalyst and substrate structures and solvationChan, Bun; Radom, Leo; Chemistry; ChemistryBase-catalyzed hydrogenation: Rationalizing the effects of catalyst and substrate structures and solvation, Journal of the American Chemical Society, vol.127,(8),2005,pp 2443-2454
2012BDE261: A comprehensive set of high-level theoretical bond dissociation enthalpiesChan, Bun; Radom, Leo; Chemistry; ChemistryBDE261: A comprehensive set of high-level theoretical bond dissociation enthalpies, The Journal of Physical Chemistry Part A: Molecules, Spectroscopy, Kinetics, Environment and General Theory, vol.116, 20, 2012,pp 4975-4986
2013A Benchmark Ab Initio and DFT Study of the Structure and Binding of Methane in the sigma-Alkane Complex CpRe(CO)2(CH4)Chan, Bun; Ball, Graham; ChemistryA Benchmark Ab Initio and DFT Study of the Structure and Binding of Methane in the sigma-Alkane Complex CpRe(CO)2(CH4), Journal of Chemical Theory and Computation, vol.9, 5, 2013,pp 2199-2208
2016Beyond the halogen bound: Examining the limits of extended polybromide networks through quantum-chemical investigationsChan, Bun; Easton, Max; Maschmeyer, Thomas; Masters, Anthony; Radom, Leo; Chemistry; Chemistry; Chemistry; Chemistry; ChemistryBeyond the halogen bound: Examining the limits of extended polybromide networks through quantum-chemical investigations, Chemistry - An Asian Journal, vol.11, 5, 2016,pp 682-686
2015Bio-inspired transition metal-organic hydride conjugates for catalysis of transfer hydrogenation: Experiment and theoryChan, Bun; Ball, Graham; Bhadbhade, Mohan; Colbran, Stephen B.; McSkimming, Alex; ChemistryBio-inspired transition metal-organic hydride conjugates for catalysis of transfer hydrogenation: Experiment and theory, Chemistry - A European Journal, vol.21, 7, 2015,pp 2821-2834
2013Chemoselective peptide ligation-desulfurization at aspartateChan, Bun; Jolliffe, Katrina; Payne, Richard; Radom, Leo; Thompson, Robert; Chemistry; Chemistry; Chemistry; Chemistry; ChemistryChemoselective peptide ligation-desulfurization at aspartate, Angewandte Chemie (International Edition), vol.52, 37, 2013,pp 9723-9727
2010A computational study of methanol-to-hydrocarbon conversion - Towards the design of a low-barrier processChan, Bun; Radom, Leo; Chemistry; ChemistryA computational study of methanol-to-hydrocarbon conversion - Towards the design of a low-barrier process, Canadian Journal of Chemistry, vol.88, 8,pp 866-876
2014Controlling charge separation in a novel donor-acceptor metal-organic framework via redox modulationChan, Bun; D'Alessandro, Deanna; Faust, Thomas Benjamin; Leong, Chanel Francis; Chemistry; Chemistry; Chemistry; ChemistryControlling charge separation in a novel donor-acceptor metal-organic framework via redox modulation, Chemical Science, vol.5, 12, 2014,pp 4724-4728
2006Design of effective zeolite catalysts for the complete hydrogenation of CO2Chan, Bun; Radom, Leo; Chemistry; ChemistryDesign of effective zeolite catalysts for the complete hydrogenation of CO2, Journal of the American Chemical Society, vol.128,(16),2006,pp 5322-5323
2012Determination of barrier heights for proton exchange in small water, ammonia, and hydrogen fluoride clusters with G4(MP2)-type, MPn, and SCS-MPn procedures - A caveatChan, Bun; Karton, Amir; O'Reilly, Robert; Radom, Leo; Chemistry; Chemistry; Chemistry; ChemistryDetermination of barrier heights for proton exchange in small water, ammonia, and hydrogen fluoride clusters with G4(MP2)-type, MPn, and SCS-MPn procedures - A caveat, Journal of Chemical Theory and Computation, vol.8, 9, 2012,pp 3128-3136
2014Effect of protonation state and interposed connector groups on bond dissociation enthalpies of alcohols and related systemsChan, Bun; Morris, Michael; Radom, Leo; Chemistry; Chemistry; ChemistryEffect of protonation state and interposed connector groups on bond dissociation enthalpies of alcohols and related systems, The Journal of Physical Chemistry Part A: Molecules, Spectroscopy, Kinetics, Environment and General Theory, vol.118, 15, 2014,pp 2810-2819
2015The electronic, optical and magnetic consequences of delocalization in multifunctional donor-acceptor organic polymersChan, Bun; D'Alessandro, Deanna; Faust, Thomas Benjamin; Hua, Carol; Kepert, Cameron; Leong, Chanel Francis; Rizzuto, Felix John; Hook, James M; Rawal, Aditya; Chemistry; Chemistry; Chemistry; Chemistry; Chemistry; Chemistry; ChemistryThe electronic, optical and magnetic consequences of delocalization in multifunctional donor-acceptor organic polymers, Physical Chemistry Chemical Physics, vol.17, 17, 2015,pp 11252-11259
2013Electronic, optical, and computational studies of a redox-active napthalenediimide-based coordination polymerChan, Bun; D'Alessandro, Deanna; Faust, Thomas; Leong, Chanel; Turner, Peter; Chemistry; Chemistry; Chemistry; Chemistry; ChemistryElectronic, optical, and computational studies of a redox-active napthalenediimide-based coordination polymer, Inorganic Chemistry, vol.52, 24, 2013,pp 14246-14252
2014Ethylene Trimerisation with Cr-PNP Catalysts: A Theoretical Benchmarking Study and Assessment of Catalyst Oxidation StateChan, Bun; Britovsek, George J.P.; McGuinness, David S.; Yates, Brian F; ChemistryEthylene Trimerisation with Cr-PNP Catalysts: A Theoretical Benchmarking Study and Assessment of Catalyst Oxidation State, Australian Journal of Chemistry: an international journal for chemical science, vol.67, 10, 2014,pp 1481-1490