Muonium Addition Reactions and Kinetic Isotope Effects in the Gas Phase: k∞ Rate Constants for Mu + C2H2

2015 ◽  
Vol 119 (28) ◽  
pp. 7247-7256 ◽  
Author(s):  
Donald J. Arseneau ◽  
David M. Garner ◽  
Ivan D. Reid ◽  
Donald G. Fleming
Keyword(s):  
Gas Phase ◽  
Rate Constants ◽  
Isotope Effects ◽  
Kinetic Isotope Effects ◽  
Addition Reactions ◽  
Kinetic Isotope

Secondary deuterium kinetic isotope effects on the thermolysis of 1-pyrazolines

1968 ◽  
Vol 46 (21) ◽  
pp. 3301-3304 ◽  
Author(s):  
Basil H. Al-Sader ◽  
Robert J. Crawford
Keyword(s):  
Gas Phase ◽  
Rate Constants ◽  
Relative Rate ◽  
Isotope Effects ◽  
Kinetic Isotope Effects ◽  
Kinetic Isotope ◽  
Relative Rate Constants

Secondary kinetic isotope effects on four deuterated 1-pyrazolines support the formation of a trimethylene intermediate during gas phase thermolysis. Calculation of cyclization relative rate constants for the trimethylene intermediates reveals that substitution of hydrogen by deuterium has no effect when the terminal methylenes are substituted, but the rate constants are decreased when the central methylene's hydrogens are substituted. Explanations are advanced for all of the observed effects.

Kinetic isotope effects and rate constants for the gas-phase reactions of three deuterated toluenes with OH from 298 to 353 K

2012 ◽  
Vol 44 (12) ◽  
pp. 821-827 ◽  
Author(s):  
Daekyun Kim ◽  
Philip S. Stevens ◽  
Ronald A. Hites
Keyword(s):  
Gas Phase ◽  
Rate Constants ◽  
Isotope Effects ◽  
Kinetic Isotope Effects ◽  
Gas Phase Reactions ◽  
Kinetic Isotope

A Theoretical Analysis of Rate Constants and Kinetic Isotope Effects Corresponding to Different Reactant Valleys in Lactate Dehydrogenase

2006 ◽  
Vol 128 (51) ◽  
pp. 16851-16863 ◽  
Author(s):  
Silvia Ferrer ◽  
Iñaki Tuñón ◽  
Sergio Martí ◽  
Vicente Moliner ◽  
Mireia Garcia-Viloca ◽  
...  
Keyword(s):  
Lactate Dehydrogenase ◽  
Theoretical Analysis ◽  
Rate Constants ◽  
Isotope Effects ◽  
Kinetic Isotope Effects ◽  
Kinetic Isotope

Ab initio predictions and experimental confirmation of large tunneling contributions to rate constants and kinetic isotope effects for hydrogen atom transfer reactions

1986 ◽  
Vol 108 (12) ◽  
pp. 3515-3516 ◽  
Author(s):  
Bruce C. Garrett ◽  
Donald G. Truhlar ◽  
Joel M. Bowman ◽  
Albert F. Wagner ◽  
Daniel. Robie ◽  
...  
Keyword(s):  
Hydrogen Atom ◽  
Ab Initio ◽  
Rate Constants ◽  
Isotope Effects ◽  
Kinetic Isotope Effects ◽  
Hydrogen Atom Transfer ◽  
Experimental Confirmation ◽  
Transfer Reactions ◽  
Atom Transfer ◽  
Kinetic Isotope

Variational transition state theory rate constants and H/D kinetic isotope effects for CH 3 + CH 3 OCOH reactions

2019 ◽  
Vol 41 (3) ◽  
pp. 231-239 ◽  
Author(s):  
Edson F. V. Carvalho ◽  
Guilherme D. Vicentini ◽  
Tiago Vinicius Alves ◽  
Orlando Roberto‐Neto
Keyword(s):  
Transition State ◽  
Rate Constants ◽  
Transition State Theory ◽  
Isotope Effects ◽  
Kinetic Isotope Effects ◽  
State Theory ◽  
Variational Transition State Theory ◽  
Kinetic Isotope ◽  
Variational Transition State

Rate constants and kinetic isotope effects for Cl+CH4→ClH+CH3: a comparison between LSC-IVR and statistical theories

2002 ◽  
Vol 360 (1-2) ◽  
pp. 59-64 ◽  
Author(s):  
Emilio Martı́nez-Núñez ◽  
Antonio Fernández-Ramos ◽  
Saulo A Vázquez ◽  
Miguel A Rı́os
Keyword(s):  
Rate Constants ◽  
Isotope Effects ◽  
Kinetic Isotope Effects ◽  
Kinetic Isotope

Dynamics calculations for the Cl+C2H6 abstraction reaction: Thermal rate constants and kinetic isotope effects

2003 ◽  
Vol 118 (14) ◽  
pp. 6280-6288 ◽  
Author(s):  
A. Fernández-Ramos ◽  
E. Martı́nez-Núñez ◽  
J. M. C. Marques ◽  
S. A. Vázquez
Keyword(s):  
Rate Constants ◽  
Isotope Effects ◽  
Kinetic Isotope Effects ◽  
Kinetic Isotope ◽  
Thermal Rate Constants ◽  
Abstraction Reaction
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