| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 5389149 | Chemical Physics Letters | 2007 | 5 Pages |
Abstract
H/D and 12C/13C vapor pressure isotope effects in methyl fluoride (CH3F) were studied at the MPW1PW91/6-31++G(d) level of theory. The equilibrium constants of the isotope exchange reactions were evaluated as 1.0263 and 0.9991 for the H/D and 12C/13C isotope exchanges at 150Â K, respectively, which reproduced reasonably well the experimental results.
Related Topics
Physical Sciences and Engineering
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Physical and Theoretical Chemistry
Authors
Satoshi Yanase, Takao Oi,