𝔖 Bobbio Scriptorium
✦   LIBER   ✦

Fourfold clusters of rovibrational energies in H2Te studied with an ab initio potential energy function

✍ Scribed by Per Jensen; Yan Li; Gerhard Hirsch; Robert J. Buenker; Timothy J. Lee; Igor N. Kozin

Book ID
107942900
Publisher
Elsevier Science
Year
1995
Tongue
English
Weight
749 KB
Volume
190
Category
Article
ISSN
0301-0104

No coin nor oath required. For personal study only.

πŸ“œ SIMILAR VOLUMES

Fourfold Clusters of Rovibrational Energ
Fourfold Clusters of Rovibrational Energies in H2Po Studied with anab InitioPotential Energy Function
✍ P.C. GΓ³mez; L.F. Pacios; Per Jensen πŸ“‚ Article πŸ“… 1997 πŸ› Elsevier Science 🌐 English βš– 162 KB

We report here an ab initio investigation of the cluster effect (i.e., the formation of four-member groups of nearly degenerate rotation-vibration energy levels at higher J and K a values) in the H 2 Po molecule. The potential energy function has been calculated ab initio for a total of 143 molecula

An ab initio molecular orbital study of
An ab initio molecular orbital study of the potential energy surface of the N2H β†’ N2 + H system
✍ Larry A. Curtiss; David L. Drapcho; John A. Pople πŸ“‚ Article πŸ“… 1984 πŸ› Elsevier Science 🌐 English βš– 577 KB

The NeH potentiaI energy surface has been examined by ab initio molncuiar orbital theory usin8 the 6-3 lG\*\* basis set with correlation enem ev&ated by MQIIer-Plesset perturbation theory to fourth order. The AE for N2H + N2 + H is -14.4 kcal mol-' and the barrier to dissociation is 10.5 kcal mol-r