𝔖 Bobbio Scriptorium
✦   LIBER   ✦

Quantum wave packet calculation of the O(3P) + H2 reaction on the new potential energy surfaces for the two lowest states

✍ Scribed by Hongsheng Zhai; Peiyu Zhang; Panwang Zhou


Book ID
116380119
Publisher
Elsevier
Year
2012
Tongue
English
Weight
575 KB
Volume
986
Category
Article
ISSN
2210-271X

No coin nor oath required. For personal study only.


πŸ“œ SIMILAR VOLUMES


Quasiclassical and capture studies on th
✍ JoΓ£o BrandΓ£o; Carolina M.A. Rio πŸ“‚ Article πŸ“… 2003 πŸ› Elsevier Science 🌐 English βš– 252 KB

In absence of energy barrier, the long-range interactions between reactants should play an important role on the dynamics of the reaction of O ð 1 DÞ with H 2 that mainly occurs in the ground state potential energy surface for H 2 O. Quasiclassical and capture studies on a new potential energy surfa

A theoretical investigation of the two l
✍ B. Joakim Persson; BjΓΆrn O. Roos; Margaret Simonson πŸ“‚ Article πŸ“… 1995 πŸ› Elsevier Science 🌐 English βš– 570 KB

The two lowest potential energy surfaces for C(3p)+ NO(2II) have been investigated. The stationary points were first located using CASSCF gradient calculations and the geometries reoptimized using complete active space second-order perturbation theory. Zero-point corrections have been included in th