๐”– Bobbio Scriptorium
โœฆ   LIBER   โœฆ

Theoretical calculation of the unimolecular decomposition of the fluorine fluorosulfonate molecule

โœ Scribed by Castro, E. A. ;Jubert, A. H.

Book ID
112686183
Publisher
Springer
Year
1978
Tongue
English
Weight
203 KB
Volume
9
Category
Article
ISSN
0133-1736

No coin nor oath required. For personal study only.

๐Ÿ“œ SIMILAR VOLUMES

Theoretical study on the unimolecular de
Theoretical study on the unimolecular decomposition of thiophenol
โœ Ala'a H. Al-Muhtaseb; Mohammednoor Altarawneh; Mansour H. Almatarneh; Raymond A. ๐Ÿ“‚ Article ๐Ÿ“… 2011 ๐Ÿ› John Wiley and Sons ๐ŸŒ English โš– 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)/6โ€311+G(2d,p)//MP2/6โ€31G(d,p). Calculated reaction rate constants at the high pressure limit indicate that the major initial chan

Theoretical Study of the Unimolecular De
Theoretical Study of the Unimolecular Decomposition Mechanism of Chloromethanol
โœ Shao-Kun Wang; Qing-Zhu Zhang; Hua Hou; Bin Wang; Fu-Xiang Liu; Yue-Shu Gu ๐Ÿ“‚ Article ๐Ÿ“… 2010 ๐Ÿ› John Wiley and Sons ๐ŸŒ English โš– 278 KB

## Abstract The decomposition pathways of chloromethanol have been studied by __ab initio__ calculation. Equilibriums and transition states have been optimized at the UMP2(full)/6โ€“31G(d) level. The single point energies have been obtained at higher level of G3 (MP2). Four transition states and eigh