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Accuracy of trajectory calculations and transition state theory for thermal rate constants of atom transfer reactions
Donald G. Truhlar
Chemistry (Twin Cities)
Research output
:
Contribution to journal
›
Article
›
peer-review
78
Scopus citations
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Dive into the research topics of 'Accuracy of trajectory calculations and transition state theory for thermal rate constants of atom transfer reactions'. Together they form a unique fingerprint.
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Engineering & Materials Science
Rate constants
100%
Atoms
83%
Trajectories
56%
Hot Temperature
38%
Isotopes
33%
Free energy
32%
Reaction rates
30%
Activation energy
28%
Chemical reactions
26%
Chemical Compounds
Transition State Theory
95%
Transfer Reaction
75%
Rate Constant
53%
S Matrix
47%
Surface Free Energy
31%
Isotope Effect
27%
Error
20%
Reaction Activation Energy
18%
Application
8%
Physics & Astronomy
trajectories
63%
atoms
40%
S matrix theory
30%
isotope effect
29%
histograms
29%
unity
24%
reaction kinetics
24%
chemical reactions
24%
free energy
21%
analogs
21%
activation energy
19%
thresholds
16%
estimates
15%
coefficients
14%