𝔖 Bobbio Scriptorium
✦   LIBER   ✦

Recombination reactions: variational transition state theory and the Gorin model

✍ Scribed by Greenhill, Paul G.; Gilbert, Robert G.

Book ID
121212317
Publisher
American Chemical Society
Year
1986
Tongue
English
Weight
391 KB
Volume
90
Category
Article
ISSN
0022-3654

No coin nor oath required. For personal study only.

πŸ“œ SIMILAR VOLUMES

CASPT2 investigation of ethane dissociat
CASPT2 investigation of ethane dissociation and methyl recombination using canonical variational transition state theory
✍ Hua Li; Bo-Zhen Chen; Ming-Bao Huang πŸ“‚ Article πŸ“… 2008 πŸ› John Wiley and Sons 🌐 English βš– 431 KB

## Abstract Ethane dissociation and the reverse recombination reactions were investigated based on CASPT2 and CASSCF calculations. The CASPT2 (partial) geometry optimization calculations and the CASSCF frequency calculations provided geometrical parameters, potential energies, and vibrational frequ