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Improved interpolated correction schemes for dual-level direct dynamics calculation
- Source :
- Journal of Physical Chemistry A. August 10, 2000, Vol. 104 Issue 31, 7200-7208
- Publication Year :
- 2000
-
Abstract
- A set of new correction schemes for dual-level variational transition-state theory calculation is developed. The new schemes are expected to predict more accurate rate constants for those reactions in which tunneling effects are important.
Details
- Language :
- English
- ISSN :
- 10895639
- Volume :
- 104
- Issue :
- 31
- Database :
- Gale General OneFile
- Journal :
- Journal of Physical Chemistry A
- Publication Type :
- Academic Journal
- Accession number :
- edsgcl.125102777