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Deuterium Kinetic Isotope Effects and their Temperature Dependence in the Gas-Phase S
N
2 Reactions X
–
+ CH
3
Y → CH
3
X + Y
–
(X, Y = Cl, Br, I)
Wei Ping Hu,
Donald G. Truhlar
Chemistry (Twin Cities)
Research output
:
Contribution to journal
›
Article
›
peer-review
134
Scopus citations
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Dive into the research topics of 'Deuterium Kinetic Isotope Effects and their Temperature Dependence in the Gas-Phase S
N
2 Reactions X
–
+ CH
3
Y → CH
3
X + Y
–
(X, Y = Cl, Br, I)'. Together they form a unique fingerprint.
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Keyphrases
Gas Phase
100%
Temperature Effect
100%
Kinetic Isotope Effect
100%
Deuterium Isotope Effect
100%
SN2 Reaction
100%
Methyl Iodide
66%
CH3Br
66%
Chloromethane
66%
Statistical Theory
33%
Force Field
33%
Transition State
33%
Conventional Transition State Theory
33%
Theory Calculation
33%
Extended Basis
33%
Electron Correlation
33%
Transition State Theory
33%
State Property
33%
Chemistry
Kinetic Isotope Effect
100%
Transition State Theory
50%
Transition State
25%
Rate Constant
25%
Electron Correlation
25%