Kinetic Isotope Effects and Variable Reaction Coordinates in Barrierless Recombination Reactions

Craig A. Taatjes; Stephen J. Klippenstein

doi:10.1021/jp011632q

Kinetic Isotope Effects and Variable Reaction Coordinates in Barrierless Recombination Reactions

The Journal of Physical Chemistry A ◽

10.1021/jp011632q ◽

2001 ◽

Vol 105 (37) ◽

pp. 8567-8578 ◽

Cited By ~ 15

Author(s):

Craig A. Taatjes ◽

Stephen J. Klippenstein

Keyword(s):

Isotope Effects ◽

Kinetic Isotope Effects ◽

Reaction Coordinates ◽

Kinetic Isotope ◽

Recombination Reactions

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Calculation of heavy‐atom kinetic isotope effects: Application of the high temperature approximation to models with three‐element reaction coordinates

The Journal of Chemical Physics ◽

10.1063/1.430796 ◽

1975 ◽

Vol 62 (6) ◽

pp. 2200-2208

Author(s):

G.‐J. Wei ◽

Peter E. Yankwich

Keyword(s):

High Temperature ◽

Isotope Effects ◽

Heavy Atom ◽

Kinetic Isotope Effects ◽

Reaction Coordinates ◽

Kinetic Isotope ◽

High Temperature Approximation

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Three-element reaction coordinates. III. Barrier curvature effects on intramolecular kinetic isotope effects

The Journal of Physical Chemistry ◽

10.1021/j100598a018 ◽

1974 ◽

Vol 78 (5) ◽

pp. 544-554 ◽

Cited By ~ 5

Author(s):

Joseph H. Keller ◽

Peter E. Yankwich

Keyword(s):

Isotope Effects ◽

Kinetic Isotope Effects ◽

Reaction Coordinates ◽

Curvature Effects ◽

Kinetic Isotope

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Calculation of heavy‐atom kinetic isotope effects: Barrier curvature and internal coordinate effects with three‐element reaction coordinates

The Journal of Chemical Physics ◽

10.1063/1.1681582 ◽

1974 ◽

Vol 60 (9) ◽

pp. 3619-3633 ◽

Cited By ~ 3

Author(s):

G.‐J. Wei ◽

Peter E. Yankwich

Keyword(s):

Isotope Effects ◽

Heavy Atom ◽

Kinetic Isotope Effects ◽

Reaction Coordinates ◽

Kinetic Isotope

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Three-element reaction coordinates and intramolecular kinetic isotope effects

The Journal of Physical Chemistry ◽

10.1021/j100845a029 ◽

1969 ◽

Vol 73 (11) ◽

pp. 3722-3735 ◽

Cited By ~ 8

Author(s):

William Joseph Kass ◽

Peter E. Yankwich

Keyword(s):

Isotope Effects ◽

Kinetic Isotope Effects ◽

Reaction Coordinates ◽

Kinetic Isotope

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Racing Carbon Atoms. Atomic Motion Reaction Coordinates and Structural Effects on Newtonian Kinetic Isotope Effects

Organic Letters ◽

10.1021/ol302389f ◽

2012 ◽

Vol 14 (20) ◽

pp. 5238-5241 ◽

Cited By ~ 13

Author(s):

Ivonne L. Andujar-De Sanctis ◽

Daniel A. Singleton

Keyword(s):

Isotope Effects ◽

Kinetic Isotope Effects ◽

Atomic Motion ◽

Structural Effects ◽

Reaction Coordinates ◽

Kinetic Isotope

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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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