Search Results - "BACH, RD" :: K.UTB vyhledávací portál

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Strain Energy of Small Ring Hydrocarbons. Influence of C−H Bond Dissociation Energies

by Bach, Robert D, Dmitrenko, Olga
Published in Journal of the American Chemical Society (07.04.2004)

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The Effect of Carbonyl Substitution on the Strain Energy of Small Ring Compounds and Their Six-Member Ring Reference Compounds

by Bach, Robert D, Dmitrenko, Olga
Published in Journal of the American Chemical Society (12.04.2006)

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The “Somersault” Mechanism for the P-450 Hydroxylation of Hydrocarbons. The Intervention of Transient Inverted Metastable Hydroperoxides

by Bach, Robert D, Dmitrenko, Olga
Published in Journal of the American Chemical Society (08.02.2006)

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Computational Studies of Nucleophilic Substitution at Carbonyl Carbon: the SN2 Mechanism versus the Tetrahedral Intermediate in Organic Synthesis

by Fox, Joseph M, Dmitrenko, Olga, Liao, Lian-an, Bach, Robert D
Published in Journal of organic chemistry (15.10.2004)

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Electronic Requirements for Oxygen Atom Transfer from Alkyl Hydroperoxides. Model Studies on Multisubstrate Flavin-Containing Monooxygenases

by Bach, Robert D, Dmitrenko, Olga
Published in The journal of physical chemistry. B (20.11.2003)

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The Effect of Substitutents on the Strain Energies of Small Ring Compounds

by Bach, Robert D, Dmitrenko, Olga
Published in Journal of organic chemistry (19.04.2002)

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A Reassessment of the Bond Dissociation Energies of Peroxides. An ab Initio Study

by Bach, Robert D, Ayala, Philippe Y, Schlegel, H. B
Published in Journal of the American Chemical Society (18.12.1996)

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A Reactivity/Affinity Switch for Parallel Kinetic Resolution: α-Amino Acid Quasienantiomers and the Resolution of Cyclopropene Carboxylic Acids

by Liao, Lian-an, Zhang, Fan, Dmitrenko, Olga, Bach, Robert D, Fox, Joseph M
Published in Journal of the American Chemical Society (14.04.2004)

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Effect of Geminal Substitution on the Strain Energy of Dioxiranes. Origin of the Low Ring Strain of Dimethyldioxirane

by Bach, Robert D, Dmitrenko, Olga
Published in Journal of organic chemistry (31.05.2002)

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Relative Reactivity of Peracids versus Dioxiranes (DMDO and TFDO) in the Epoxidation of Alkenes. A Combined Experimental and Theoretical Analysis

by Bach, Robert D, Dmitrenko, Olga, Adam, Waldemar, Schambony, Simon
Published in Journal of the American Chemical Society (29.01.2003)

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Reassessment of the Level of Theory Required for the Epoxidation of Ethylene with Dioxiranes

by Dmitrenko, Olga, Bach, Robert D
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (19.08.2004)

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Chemical Behavior of the Biradicaloid (HO···ONO) Singlet States of Peroxynitrous Acid. The Oxidation of Hydrocarbons, Sulfides, and Selenides

by Bach, Robert D, Dmitrenko, Olga, Estévez, Carlos M
Published in Journal of the American Chemical Society (09.03.2005)

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C−H···Carboxylate Oxygen Hydrogen Bonding in Substrate Activation by Acyl-CoA Dehydrogenases: Synergy between the H-bonds

by Bach, Robert D, Thorpe, Colin, Dmitrenko, Olga
Published in The journal of physical chemistry. B (25.04.2002)

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Effect of a Charge-Transfer Interaction on the Catalytic Activity of Acyl-CoA Dehydrogenase: A Theoretical Study of the Role of Oxidized Flavin

by Dmitrenko, Olga, Thorpe, Colin, Bach, Robert D
Published in The journal of physical chemistry. B (27.11.2003)

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Spiro versus Planar Transition Structures in the Epoxidation of Simple Alkenes. A Reassessment of the Level of Theory Required

by Bach, Robert D, Dmitrenko, Olga
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (29.05.2003)

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Influence of Electrostatic Effects on Activation Barriers in Enzymatic Reactions: Pyridoxal 5‘-Phosphate-Dependent Decarboxylation of α-Amino Acids

by Bach, Robert D, Canepa, Carlo, Glukhovtsev, Mikhail N
Published in Journal of the American Chemical Society (21.07.1999)

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Model Studies on p-Hydroxybenzoate Hydroxylase. The Catalytic Role of Arg-214 and Tyr-201 in the Hydroxylation Step

by Bach, Robert D, Dmitrenko, Olga
Published in Journal of the American Chemical Society (14.01.2004)

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Neutral versus Charged Species in Enzyme Catalysis. Classical and Free Energy Barriers for Oxygen Atom Transfer from C4a-Hydroperoxyflavin to Dimethyl Sulfide

by Canepa, Carlo, Bach, Robert D, Dmitrenko, Olga
Published in Journal of organic chemistry (29.11.2002)

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High-Level Computational Study of the Stereoelectronic Effects of Substituents on Alkene Epoxidations with Peroxyformic Acid

by Bach, Robert D, Glukhovtsev, Mikhail N, Gonzalez, Carlos
Published in Journal of the American Chemical Society (30.09.1998)

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Performance of the B3LYP/ECP DFT Calculations of Iron-Containing Compounds

by Glukhovtsev, Mikhail N, Bach, Robert D, Nagel, Christopher J
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (16.01.1997)

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