𝔖 Bobbio Scriptorium
✦   LIBER   ✦

A theoretical study on the internal rotation and hyperfine structures of the ethyl radical (CH3-CH2)

✍ Scribed by H.U. Suter; Tae-Kyu Ha


Book ID
107942605
Publisher
Elsevier Science
Year
1991
Tongue
English
Weight
767 KB
Volume
154
Category
Article
ISSN
0301-0104

No coin nor oath required. For personal study only.


πŸ“œ SIMILAR VOLUMES


The origin of barriers to internal rotat
✍ Keiji Morokuma; Hideaki Umeyama πŸ“‚ Article πŸ“… 1977 πŸ› Elsevier Science 🌐 English βš– 517 KB

The energy decomposition analysis of Morokuma and Kitaura-Morokuma is used to clucidatc the origin of the rotational barrier. The barrier of ethane, defined as the difference between the methyl radical-methyl radical interaction energy in a staggered and an eclipsed conformation, is found to be domi

A localized orbital study of the rearran
✍ Mark S. Gordon; Patrick M. Saatzer; R.D. Koob πŸ“‚ Article πŸ“… 1976 πŸ› Elsevier Science 🌐 English βš– 727 KB

The structures ofcthylidcne and propylidene in their lowest singlet states :ue considered using INDO lnd MIND 112 calculations. Using a gadicnt optimization method, it is found that R!INDO/Z predicts no encrg minimu.n f-or singlet ethylidenc, while INDO predicts non-&ssic4 bridged structures for the

Theoretical study of the CH3SCH2OO and C
✍ Michael L. McKee πŸ“‚ Article πŸ“… 1994 πŸ› Elsevier Science 🌐 English βš– 461 KB

Ab initio calculations at the [QCISD(T)/6-31 +G(Zdf, p)]//MP2/6-31G(d) level have been applied to CH$CH200, a radical which is thought to be important in the atmospheric oxidation of dimethylsulfide. The geometries of CH3SCH200 and the related CI-ISSCH20 radical are similar to other organic radicals