Pregled po CROSBI profilu: David Matthew Smith (CROSBI Profil: 26953, MBZ: 260506)
Pronađeno 148 radova
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126.Divergent mechanisms of suicide inactivation for ethanolamine ammonia-lyase // Journal of the American Chemical Society, 127 (2005), 8856-8864 (međunarodna recenzija, članak, znanstveni)
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127.Suicide inactivation of dioldehydratase by glycolaldehyde and chloroacetaldehyde: an examination of the reaction mechanism // Journal of the American Chemical Society, 126 (2004), 12206-12207 (međunarodna recenzija, članak, znanstveni)
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128.The unusual bifunctional catalysis of epimerization and desaturation by carbapenem synthase // Journal of the American Chemical Society, 126 (2004), 9932-9933 (međunarodna recenzija, članak, znanstveni)
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129.Deprotonation of Enoxy Radicals: Theoretical Validation of a 50-Year-Old Mechanistic Proposal // Angewandte Chemie. International edition, 42 (2003), 16; 1867-1870 doi:10.1002/anie.200250502 (međunarodna recenzija, članak, znanstveni)
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130.In Pursuit of the Elusive Bond-stretch Isomers by Ab Initio Methods - Benzocyclobutadiene, Benzo[1, 2:4, 5]dicyclobutadiene and Some Related Substituted Systems // The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 107 (2003), 48; 10396-10405 (međunarodna recenzija, članak, znanstveni)
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131.Understanding the Mechanism of Action of B12-Dependent Ethanolamine Ammonia-Lyase: Synergistic Interactions at Play // Journal of the American Chemical Society, 124 (2002), 47; 14054-14065 doi:10.1021/ja027579g (međunarodna recenzija, članak, znanstveni)
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132.Designing Aryl Cations for Direct Observation in Solution : Ab Initio MO Calculations of UV Spectra // Journal of the Chemical Society-Perkin Tansactions 2, 5 (2002), 906-913 (međunarodna recenzija, članak, znanstveni)
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133.Interconversion of (S)-glutamate and (2S, 3S)-3-methylaspartate: A distinctive B-12-dependent carbon-skeleton rearrangement // Journal of the American Chemical Society, 123 (2001), 33; 7963-7972 doi:10.1021/ja004246f (međunarodna recenzija, članak, znanstveni)
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134.A Theoretical Investigation of the Effects of Electronegative Substitution on the Strength of C−H···N Hydrogen Bonds // The Journal of Physical Chemistry A, 105 (2001), 38; 8718-8726 doi:10.1021/jp011087t (međunarodna recenzija, članak, znanstveni)
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135.Catalysis by Mutants of Methylmalonyl-CoA Mutase: A Theoretical Rationalization for a Change in the Rate-Determining Step // ChemBioChem, 2 (2001), 12; 919-922 doi:10.1002/1439-7633(20011203)2:12<919::aid-cbic919>3.0.co ; 2-6 (međunarodna recenzija, članak, znanstveni)
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136.Towards multireference equivalents of the G2 and G3 methods // The Journal of Chemical Physics, 115 (2001), 19; 8758-8772 doi:10.1063/1.1411998 (međunarodna recenzija, članak, znanstveni)
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137.On the Correlation Energy Features in Planar Heteroatomic Molecular Systems // Journal of Chemical Physics, 115 (2001), 8; 3474-3483 (međunarodna recenzija, članak, znanstveni)
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138.The Additivity of the pi-Electron Correlation Energy in Planar Heteroatomic Molecules // Chemical physics, 269 (2001), 1/3; 11-28 doi:10.1016/S0301-0104(01)00367-6 (međunarodna recenzija, članak, znanstveni)
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139.How B-6 helps B-12: The roles of B-6, B-12, and the enzymes in aminomutase-catalyzed reactions // Journal of the American Chemical Society, 122 (2000), 41; 10208-10209 doi:10.1021/ja001651y (međunarodna recenzija, članak, znanstveni)
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140.Understanding the mechanism of B-12-dependent methylmalonyl-CoA mutase: Partial proton transfer in action // Journal of the American Chemical Society, 121 (1999), 40; 9388-9399 doi:10.1021/ja991649a (međunarodna recenzija, članak, znanstveni)
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141.Toward a consistent mechanism for diol dehydratase catalyzed reactions: An application of the partial-proton-transfer concept // Journal of the American Chemical Society, 121 (1999), 24; 5700-5704 doi:10.1021/ja990209g (međunarodna recenzija, članak, znanstveni)
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142.Facilitation of enzyme-catalyzed reactions by partial proton transfer: Application to coenzyme-B-12-dependent methylmalonyl-CoA mutase // Journal of the American Chemical Society, 121 (1999), 6; 1383-1384 doi:10.1021/ja983512a (međunarodna recenzija, članak, znanstveni)
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143.On the mechanism of action of vitamin B-12: Theoretical studies of the 2-methyleneglutarate mutase catalyzed rearrangement // Journal of the American Chemical Society, 121 (1999), 5; 1037-1044 doi:10.1021/ja9827245 (međunarodna recenzija, članak, znanstveni)
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144.Ring opening of the cyclopropylcarbinyl radical and its N- and O-substituted analogues. A theoretical examination of very fast unimolecular reactions // Journal of the American Chemical Society, 120 (1998), 39; 10223-10233 doi:10.1021/ja980635m (međunarodna recenzija, članak, znanstveni)
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145.An assessment of theoretical procedures for the calculation of reliable free radical thermochemistry: A recommended new procedure // The Journal of Chemical Physics, 108 (1998), 2; 604-615 doi:10.1063/1.476256 (međunarodna recenzija, članak, znanstveni)
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146.Phenyl radical, cation, and anion. The triplet- singlet gap and higher excited states of the phenyl cation // Journal of the American Chemical Society, 119 (1997), 34; 8083-8088 doi:10.1021/ja970808s (međunarodna recenzija, članak, znanstveni)
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147.The electronic spectroscopy of 1, 2, 3-triazine // Chemical Physics, 221 (1997), 1-2; 11-21 doi:10.1016/S0301-0104(97)00159-6 (međunarodna recenzija, članak, znanstveni)
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148.The ring-puckering motion in perfluorocyclobutane // Journal of molecular structure, 405 (1997), 2-3; 159-167 doi:10.1016/S0022-2860(96)09590-7 (međunarodna recenzija, članak, znanstveni)
