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research article

Path integral evaluation of equilibrium isotope effects (vol 131, 024111, 2009)

Zimmermann, Tomas
•
Vanicek, Jiri
July 28, 2009
The Journal of Chemical Physics
  • Details
  • Metrics
Type
research article
DOI
10.1063/1.3202533
Web of Science ID

WOS:000268613700103

Author(s)
Zimmermann, Tomas
•
Vanicek, Jiri
Date Issued

2009-07-28

Published in
The Journal of Chemical Physics
Volume

131

Issue

4

Article Number

049903

Subjects

ab initio calculations

•

chemical equilibrium

•

chemical exchanges

•

free energy

•

heat of reaction

•

isotope effects

•

molecular dynamics method

•

organic compounds

•

reaction kinetics theory

•

rotational states

•

vibrational states

Peer reviewed

REVIEWED

Written at

EPFL

EPFL units
LCPT  
RelationURL/DOI

IsSupplementTo

https://infoscience.epfl.ch/record/140293
Available on Infoscience
October 31, 2019
Use this identifier to reference this record
https://infoscience.epfl.ch/handle/20.500.14299/162530
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