Browsing by Author Radom, Leo

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Issue DateTitleAuthor(s)Citation
2009Ab initio investigation of the fragmentation of 5,5-diamino-substituted 1,4,2-oxathiazolesO'Reilly, Robert; Radom, Leo; Chemistry; ChemistryAb initio investigation of the fragmentation of 5,5-diamino-substituted 1,4,2-oxathiazoles, Organic Letters, vol.11, 6, 2009,pp 1325-1328
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
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
2013Accurate quantum chemical energies for tetrapeptide conformations: why MP2 data with an insufficient basis set should be handled with cautionGoerigk, Lars; Karton, Amir; Radom, Leo; Martin, Jan; Chemistry; Chemistry; ChemistryAccurate quantum chemical energies for tetrapeptide conformations: why MP2 data with an insufficient basis set should be handled with caution, Physical Chemistry Chemical Physics, vol.15, 19, 2013,pp 7028-7031
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
2012Assessment of theoretical procedures for calculating barrier heights for a diverse set of water-catalyzed proton-transfer reactionsKarton, Amir; O'Reilly, Robert; Radom, Leo; Chemistry; Chemistry; ChemistryAssessment of theoretical procedures for calculating barrier heights for a diverse set of water-catalyzed proton-transfer reactions, The Journal of Physical Chemistry Part A: Molecules, Spectroscopy, Kinetics, Environment and General Theory, vol.116, 16, 2012,pp 4211-4221
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
2006An assessment of theoretical procedures for predicting the thermochemistry and kinetics of hydrogen abstraction by methyl radical from benzeneHemelsoet, Karen; Moran, Damian; Radom, Leo; Van Speybroeck, Veronique; Waroquier, Michel; Chemistry; Chemistry; ChemistryAn assessment of theoretical procedures for predicting the thermochemistry and kinetics of hydrogen abstraction by methyl radical from benzene, The Journal of Physical Chemistry Part A: Molecules, Spectroscopy, Kinetics, Environment and General Theory, vol.110,(28),2006,pp 8942-8951
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
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
2005Bond dissociation energies and radical stabilization energies associated with model peptide-backbone radicalsMoran, Damian; Radom, Leo; Wood, Geoffrey; Jacob, Rebecca; Chemistry; Chemistry; ChemistryBond dissociation energies and radical stabilization energies associated with model peptide-backbone radicals, The Journal of Physical Chemistry Part A: Molecules, Spectroscopy, Kinetics, Environment and General Theory, vol.109,(28),2005,pp 6318-6325
2007Bond dissociation energies and radical stabilization energies: An assessment of contemporary theoretical proceduresMenon, Ambili; Moran, Damian; Radom, Leo; Wood, Geoffrey; Chemistry; Chemistry; Chemistry; ChemistryBond dissociation energies and radical stabilization energies: An assessment of contemporary theoretical procedures, The Journal of Physical Chemistry Part A: Molecules, Spectroscopy, Kinetics, Environment and General Theory, vol.111,(51),2007,pp 13638-13644
2008The Carbon-Skeleton Rearrangement in Tropane Alkaloid BiosynthesisRadom, Leo; Sandala, Gregory; Smith, David M; Chemistry; ChemistryThe Carbon-Skeleton Rearrangement in Tropane Alkaloid Biosynthesis, Journal of the American Chemical Society, vol.130, 32, 2008,pp 10684-10690
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
2004Comparison Of The Kinetics And Thermodynamics For Methyl Radical Addition To C=C, C=O, And C=S Double BondsGomez-Balderas, Rodolfo; Radom, Leo; Coote, Michelle L; Henry, David J; Chemistry; ChemistryComparison Of The Kinetics And Thermodynamics For Methyl Radical Addition To C=C, C=O, And C=S Double Bonds, Journal of the American Chemical Society, vol.126,(6),2004,pp 1732-1740
2012Computational design of effective, bioinspired HOCI antioxidants: The role of intramolecular C1(+) and H(+) shiftsDavies, Michael; Karton, Amir; O'Reilly, Robert; Pattison, David; Radom, Leo; Central Clinical School: Heart Research Institute; Chemistry; Chemistry; Central Clinical School: Heart Research Institute; ChemistryComputational design of effective, bioinspired HOCI antioxidants: The role of intramolecular C1(+) and H(+) shifts, Journal of the American Chemical Society, vol.134, 46, 2012,pp 19240-19245
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
2008Consequences of Spin Contamination in Unrestricted Calculations on Open-Shell Species: Effect of Hartree-Fock and Møller-Plesset Contributions in Hybrid and Double-Hybrid Density Functional Theory ApproachesMenon, Ambili; Radom, Leo; Chemistry; ChemistryConsequences of Spin Contamination in Unrestricted Calculations on Open-Shell Species: Effect of Hartree-Fock and Møller-Plesset Contributions in Hybrid and Double-Hybrid Density Functional Theory Approaches, The Journal of Physical Chemistry Part A: Molecules, Spectroscopy, Kinetics, Environment and General Theory, vol.112, 50, 2008,pp 13225-13230