𝔖 Bobbio Scriptorium
✦   LIBER   ✦

Ab Initio Study of the Atmospheric Oxidation of CS 2

✍ Scribed by McKee, Michael L.; Wine, P. H.


Book ID
126334232
Publisher
American Chemical Society
Year
2001
Tongue
English
Weight
133 KB
Volume
123
Category
Article
ISSN
0002-7863

No coin nor oath required. For personal study only.


πŸ“œ SIMILAR VOLUMES


Ab initio study of the oxidation of NCN
✍ R. S. Zhu; M. C. Lin πŸ“‚ Article πŸ“… 2005 πŸ› John Wiley and Sons 🌐 English βš– 118 KB

## Abstract The reaction of NCN with O~2~ has been investigated by ab initio molecular orbital and transition state theory calculations. The mechanisms for formation of possible product channels involved in the singlet and triplet potential energy surfaces have been predicted at the highest level o

Ab-initio study of initial atmospheric o
✍ GarcοΏ½a-Cruz, Isidoro; Ruiz-Santoyo, M. E.; Alvarez-Idaboy, J. RaοΏ½l; Vivier-Bunge πŸ“‚ Article πŸ“… 1999 πŸ› John Wiley and Sons 🌐 English βš– 290 KB πŸ‘ 2 views

Second-order, Møller᎐Plesset MP2 -unrestricted Hartree᎐Fock ## Ž . calculations with full geometry optimization in the 6-31G d, p basis set were carried out to study the initial atmospheric oxidation reactions of alkanes. All structures in the initial hydrogen abstraction reaction by an OH radica

Ab initio study of NO 2
✍ Hirsch, Gerhard; Buenker, Robert J.; Petrongolo, Carlo πŸ“‚ Article πŸ“… 1990 πŸ› Taylor and Francis Group 🌐 English βš– 787 KB
Ab initio study of additivity. 2
✍ McKee, M. L.; Lipscomb, William N. πŸ“‚ Article πŸ“… 1985 πŸ› American Chemical Society 🌐 English βš– 417 KB