𝔖 Bobbio Scriptorium
✦   LIBER   ✦

EXPERIMENTAL STUDIES OF RESONANCES IN UNIMOLECULAR DECOMPOSITION

✍ Scribed by Reid, Scott A.; Reisler, Hanna


Book ID
121404169
Publisher
Annual Reviews
Year
1996
Tongue
English
Weight
363 KB
Volume
47
Category
Article
ISSN
0066-426X

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Theoretical study on the unimolecular de
✍ Ala'a H. Al-Muhtaseb; Mohammednoor Altarawneh; Mansour H. Almatarneh; Raymond A. πŸ“‚ Article πŸ“… 2011 πŸ› John Wiley and Sons 🌐 English βš– 567 KB

## Abstract The potential energy surface for the unimolecular decomposition of thiophenol (C~6~H~5~SH) is mapped out at two theoretical levels; BB1K/GTlarge and QCISD(T)/6‐311+G(2d,p)//MP2/6‐31G(d,p). Calculated reaction rate constants at the high pressure limit indicate that the major initial chan