Theoretical investigation of the origin of secondary α-deuterium kinetic isotope effects

Journal of the Chemical Society Chemical Communications ◽

10.1039/c39930001286 ◽

1993 ◽

pp. 1286-1287 ◽

Cited By ~ 10

Author(s):

John A. Barnes ◽

Ian H. Williams

Keyword(s):

Theoretical Investigation ◽

Isotope Effects ◽

Kinetic Isotope Effects ◽

Kinetic Isotope

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Kinetic Isotope Effects and Transition State Geometries. A Theoretical Investigation of E2 Model Systems

The Journal of Organic Chemistry ◽

10.1021/jo9618379 ◽

1997 ◽

Vol 62 (2) ◽

pp. 253-260 ◽

Cited By ~ 14

Author(s):

Sanne Schrøder Glad ◽

Frank Jensen

Keyword(s):

Transition State ◽

Theoretical Investigation ◽

Isotope Effects ◽

Kinetic Isotope Effects ◽

Model Systems ◽

Kinetic Isotope

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Theoretical investigation on the mechanism and kinetic isotope effects of DBCP hydroxylation by cytochrome P450

Chinese Science Bulletin (Chinese Version) ◽

10.1360/972012-158 ◽

2012 ◽

Vol 57 (28-29) ◽

pp. 2699-2704

Author(s):

YuQin MA ◽

XingBao WANG ◽

JingWen CHEN ◽

Yong WANG

Keyword(s):

Cytochrome P450 ◽

Theoretical Investigation ◽

Isotope Effects ◽

Kinetic Isotope Effects ◽

Kinetic Isotope

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A Theoretical Investigation of α-Carbon Kinetic Isotope Effects and Their Relationship to the Transition-State Structure of SN2 Reactions

The Journal of Organic Chemistry ◽

10.1021/jo047987y ◽

2005 ◽

Vol 70 (10) ◽

pp. 4022-4027 ◽

Cited By ~ 21

Author(s):

O. Matsson ◽

A. Dybala-Defratyka ◽

M. Rostkowski ◽

P. Paneth ◽

K. C. Westaway

Keyword(s):

Transition State ◽

Theoretical Investigation ◽

Isotope Effects ◽

Kinetic Isotope Effects ◽

State Structure ◽

Transition State Structure ◽

Sn2 Reactions ◽

Kinetic Isotope

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Theoretical Investigation of Large Kinetic Isotope Effects for Proton-Coupled Electron Transfer in Ruthenium Polypyridyl Complexes

Journal of the American Chemical Society ◽

10.1021/ja017633d ◽

2002 ◽

Vol 124 (17) ◽

pp. 4848-4856 ◽

Cited By ~ 34

Author(s):

Nedialka Iordanova ◽

Sharon Hammes-Schiffer

Keyword(s):

Electron Transfer ◽

Theoretical Investigation ◽

Isotope Effects ◽

Kinetic Isotope Effects ◽

Ruthenium Polypyridyl ◽

Polypyridyl Complexes ◽

Proton Coupled Electron Transfer ◽

Kinetic Isotope ◽

Ruthenium Polypyridyl Complexes

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Sizeable Increase of Kinetic Isotope Effects and Tunnelling in Coupled Electron–Proton Transfers in Presence of the Quaternary Ions. PCET Processes and Hydrogen Tunnelling as a “Probe” for Structuring and Dynamical Phenomena in Water Solution

Zeitschrift für Physikalische Chemie ◽

10.1524/zpch.2012.0150 ◽

2011 ◽

pp. 110923034559006

Author(s):

Cvijeta Jakobušić Brala ◽

Ana Karković ◽

Ivana Sajenko ◽

Viktor Pilepić ◽

Stanko Uršić

Keyword(s):

Water Solution ◽

Isotope Effects ◽

Kinetic Isotope Effects ◽

Kinetic Isotope ◽

Proton Transfers ◽

Sizeable Increase

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Primary and secondary kinetic isotope effects in proton (H+/D+) and chloronium ion (35Cl+/37Cl+) affinities

Journal of Mass Spectrometry ◽

10.1002/jms.219 ◽

2001 ◽

Vol 36 (10) ◽

pp. 1140-1148 ◽

Cited By ~ 20

Author(s):

F�bio Cesar Gozzo ◽

Marcos N. Eberlin

Keyword(s):

Isotope Effects ◽

Kinetic Isotope Effects ◽

Kinetic Isotope

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Theoretical Simulations of Heavy-Atom Kinetic Isotope Effects in Aliphatic Claisen Rearrangement

The Journal of Physical Chemistry A ◽

10.1021/acs.jpca.0c07784 ◽

2020 ◽

Vol 124 (51) ◽

pp. 10678-10686

Author(s):

Yuqing Xu ◽

Kin-Yiu Wong ◽

Meishan Wang ◽

Desheng Liu ◽

Wenkai Zhao ◽

...

Keyword(s):

Claisen Rearrangement ◽

Isotope Effects ◽

Heavy Atom ◽

Kinetic Isotope Effects ◽

Kinetic Isotope ◽

Theoretical Simulations

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Stereochemistry and kinetic isotope effects in the decarboxylation of S-adenosylmethionine catalyzed by the pyruvyl enzyme, S-adenosylmethionine decarboxylase.

Journal of Biological Chemistry ◽

10.1016/s0021-9258(19)69595-5 ◽

1981 ◽

Vol 256 (7) ◽

pp. 3233-3239

Author(s):

R.R. Allen ◽

J.P. Klinman

Keyword(s):

Isotope Effects ◽

Kinetic Isotope Effects ◽

Adenosylmethionine Decarboxylase ◽

Kinetic Isotope

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Ab Initio Density Functional Calculations of Deuterium Kinetic Isotope Effects for Decomposition of Dimethylnitramine

The Journal of Physical Chemistry A ◽

10.1021/jp962326t ◽

1997 ◽

Vol 101 (7) ◽

pp. 1370-1373 ◽

Cited By ~ 11

Author(s):

Nathan J. Harris ◽

Koop Lammertsma

Keyword(s):

Ab Initio ◽

Density Functional Calculations ◽

Density Functional ◽

Isotope Effects ◽

Kinetic Isotope Effects ◽

Kinetic Isotope

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Direct dynamics calculations of reaction rate and kinetic isotope effects in enzyme catalysed reactions

Faraday Discussions ◽

10.1039/b201183m ◽

2002 ◽

Vol 122 ◽

pp. 223-242 ◽

Cited By ~ 20

Author(s):

Gary Tresadern ◽

Sara Nunez ◽

Paul F. Faulder ◽

Hong Wang ◽

Ian H. Hillier ◽

...

Keyword(s):

Reaction Rate ◽

Isotope Effects ◽

Kinetic Isotope Effects ◽

Direct Dynamics ◽

Kinetic Isotope

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