Browsing by Author Radom, Leo

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Issue DateTitleAuthor(s)Citation
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
2005Divergent mechanisms of suicide inactivation for ethanolamine ammonia-lyaseRadom, Leo; Sandala, Gregory; Smith, David M; Chemistry; ChemistryDivergent mechanisms of suicide inactivation for ethanolamine ammonia-lyase, Journal of the American Chemical Society, vol.127,(24),2005,pp 8856-8864
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
2006Effect of side chains on competing pathways for beta-scission reactions of peptide-backbone alkoxyl radicalsDavies, Michael; Radom, Leo; Wood, Geoffrey; Easton, Christopher J; Rauk, Arvi; Central Clinical School: Heart Research Institute; Chemistry; ChemistryEffect of side chains on competing pathways for beta-scission reactions of peptide-backbone alkoxyl radicals, The Journal of Physical Chemistry Part A: Molecules, Spectroscopy, Kinetics, Environment and General Theory, vol.110,(34),2006,pp 10316-10323
2013Effect of Substituents on the Preferred Modes of One-Electron Reductive Cleavage of N-Cl and N-Br BondsKarton, Amir; O'Reilly, Robert; Radom, Leo; Chemistry; Chemistry; ChemistryEffect of Substituents on the Preferred Modes of One-Electron Reductive Cleavage of N-Cl and N-Br Bonds, The Journal of Physical Chemistry Part A: Molecules, Spectroscopy, Kinetics, Environment and General Theory, vol.117, 2, 2013,pp 460-472
2011Effect of substituents on the stabilities of multiply-substituted caron-centered radicalsMenon, Ambili; Radom, Leo; Bally, Thomas; Henry, David; Chemistry; ChemistryEffect of substituents on the stabilities of multiply-substituted caron-centered radicals, Organic & Biomolecular Chemistry, vol.9, 10, 2011,pp 3636-3657
2011Effect of Substituents on the Strength of N–X (X = H, F, and Cl) Bond Dissociation energies: A High-Level Quantum Chemical StudyKarton, Amir; O'Reilly, Robert; Radom, Leo; Chemistry; Chemistry; ChemistryEffect of Substituents on the Strength of N–X (X = H, F, and Cl) Bond Dissociation energies: A High-Level Quantum Chemical Study, The Journal of Physical Chemistry Part A: Molecules, Spectroscopy, Kinetics, Environment and General Theory, vol.115, 21, 2011,pp 5496-5504
2012The elusive 5'-deoxyadenosyl radical in coenzyme-B(12)-mediated reactionsBucher, Denis; Radom, Leo; Sandala, Gregory; Durbeej, Bo; Smith, David M.; Physics; Chemistry; ChemistryThe elusive 5'-deoxyadenosyl radical in coenzyme-B(12)-mediated reactions, Journal of the American Chemical Society, vol.134, 3, 2012,pp 1591-1599
2007An evaluation of harmonic vibrational frequency scale factorsMerrick, Jeffrey; Moran, Damian; Radom, Leo; Chemistry; Chemistry; ChemistryAn evaluation of harmonic vibrational frequency scale factors, The Journal of Physical Chemistry Part A: Molecules, Spectroscopy, Kinetics, Environment and General Theory, vol.111,(45),2007,pp 11683-11700
2013Evaluation of the Heats of Formation of Corannulene and C(60) by Means of High-Level Theoretical ProceduresChan, Bun; Karton, Amir; Radom, Leo; Raghavachari, Krishnan; Chemistry; Chemistry; ChemistryEvaluation of the Heats of Formation of Corannulene and C(60) by Means of High-Level Theoretical Procedures, The Journal of Physical Chemistry Part A: Molecules, Spectroscopy, Kinetics, Environment and General Theory, vol.117, 8, 2013,pp 1834-1842
2006An experimental and theoretical investigation of gas-phase reactions of Ca2+ with glycineMoran, Damian; Radom, Leo; Corral, Ines; Mo, Otilia; Salpin, Jean-Yves; Tortajada, Jeanine; Yanez, Manuel; Chemistry; ChemistryAn experimental and theoretical investigation of gas-phase reactions of Ca2+ with glycine, Chemistry: A European Journal, vol.12,(26),2006,pp 6787-6796
2016Factors influencing the formation of polybromide monoanions in solutions of ionic liquid bromide saltsChan, Bun; Easton, Max; Maschmeyer, Thomas; Masters, Anthony; Radom, Leo; Ward, Antony; Chemistry; Chemistry; Chemistry; Chemistry; Chemistry; ChemistryFactors influencing the formation of polybromide monoanions in solutions of ionic liquid bromide salts, Physical Chemistry Chemical Physics, vol.18, 10, 2016,pp 7251-7260
2016Frequency Scale Factors for Some Double-Hybrid Density Functional Theory Procedures: Accurate Thermochemical Components for High-Level Composite ProtocolsChan, Bun; Radom, Leo; Chemistry; ChemistryFrequency Scale Factors for Some Double-Hybrid Density Functional Theory Procedures: Accurate Thermochemical Components for High-Level Composite Protocols, Journal of Chemical Theory and Computation, vol.12, 8, 2016,pp 3774-3780
2016Frequency Scale Factors for Some Double-Hybrid Density Functional Theory Procedures: Accurate Thermochemical Components for High-Level Composite ProtocolsChan, Bun; Radom, Leo; Chemistry; ChemistryFrequency Scale Factors for Some Double-Hybrid Density Functional Theory Procedures: Accurate Thermochemical Components for High-Level Composite Protocols, Journal of Chemical Theory and Computation, vol.12, 8, 2016,pp 3774-3780
2011G4(MP2)-6X: A Cost-Effective Improvement to G4(MP2)Chan, Bun; Deng, Jia; Radom, Leo; Chemistry; Chemistry; ChemistryG4(MP2)-6X: A Cost-Effective Improvement to G4(MP2), Journal of Chemical Theory and Computation, vol.7, 1, 2011,pp 112-120
2010G4-SP, G4(MP2)-SP, G4-sc, and G4(MP2)-sc: Modifications to G4 and G4(MP2) for the treatment of medium-sized radicalsChan, Bun; Radom, Leo; Coote, Michelle L; Chemistry; ChemistryG4-SP, G4(MP2)-SP, G4-sc, and G4(MP2)-sc: Modifications to G4 and G4(MP2) for the treatment of medium-sized radicals, Journal of Chemical Theory and Computation, vol.6, 9,pp 2647-2653
2013Gas-phase infrared spectrum and acidity of the radical cation of 9-methylguanineChan, Bun; Radom, Leo; Feketeova, Linda; Khairallah, George N.; Maitre, Philippe; O'Hair, Richard A J; Steinmetz, Vincent; Chemistry; ChemistryGas-phase infrared spectrum and acidity of the radical cation of 9-methylguanine, Chemical Communications, vol.49, 66, 2013,pp 7343-7345
2004Gas-Phase Reactions Between Urea And Ca²+: The Importance Of Coulomb ExplosionsRadom, Leo; Corral, Ines; Mo, Otilia; Salpin, Jean-Yves; Tortajada, Jeanine; Yanez, Manuel; ChemistryGas-Phase Reactions Between Urea And Ca²+: The Importance Of Coulomb Explosions, The Journal of Physical Chemistry Part A: Molecules, Spectroscopy, Kinetics, Environment and General Theory, vol.108,(46),2004,pp 10080-10088
2006Gas-phase regiocontrolled generation of charged amino acid and peptide radicalsMoran, Damian; Radom, Leo; Barlow, Christopher K.; Easton, Christopher J; Mortimer, Adam; O'Hair, Richard A J; Wee, Sheena; Wright, Suzanne; Chemistry; ChemistryGas-phase regiocontrolled generation of charged amino acid and peptide radicals, Chemical Communications, vol.2006,(40),2006,pp 4233-4235