𝔖 Bobbio Scriptorium
✦   LIBER   ✦

Investigation of the 2B2 state of H2O+ using valence-bond techniques

✍ Scribed by C.G. Balint-Kurti; R.N. Yardley

Publisher
Elsevier Science
Year
1975
Tongue
English
Weight
257 KB
Volume
36
Category
Article
ISSN
0009-2614

No coin nor oath required. For personal study only.

✦ Synopsis

Ab initio valence-bond calculations have been performed or, the low-Iyin: states ol'H,O+, \vith special attention being focused on the B' 'B, state of the ion. TIN calculnted potential energy surface for the B' 2B2 slate is in qualitative

πŸ“œ SIMILAR VOLUMES

Pairwise correlated generalized valence
Pairwise correlated generalized valence bond model of electronic structure. VII. The b3βˆ‘ state of H2
✍ Marc R. Nyden; G. A. Petersson πŸ“‚ Article πŸ“… 1980 πŸ› John Wiley and Sons 🌐 English βš– 337 KB

## Abstract A modification of the overlap approximation for triplet pair correlation energies is presented. The modification allows the use of either the canonical absolute overlap or the minimum absolute overlap. When applied to the __b__ ^3^βˆ‘ state of H~2~, this approximation reproduces the obser

Valence-bond calculations on the ground
Valence-bond calculations on the ground state of BeH2
✍ K.A.R. Mitchell; T. Thirunamachandran πŸ“‚ Article πŸ“… 1970 πŸ› Elsevier Science 🌐 English βš– 198 KB

a) In atomic units (27.2 eV) relative to Be++.

A theoretical investigation of the excit
A theoretical investigation of the excited states of the H2O2 molecule
✍ Ernst-Albrecht Reinsch πŸ“‚ Article πŸ“… 1987 πŸ› Elsevier Science 🌐 English βš– 246 KB

Ab initio calculations for a series of excited states of the HZ02 molecule have been performed in order to discuss some recent photofragmentation experiments with laser light. For understanding these experiments the direction of the transition moments is of great interest, as well as the possibility

Valence bond studies of the D2h isomer o
Valence bond studies of the D2h isomer of O4: An interim report
✍ Richard D. Harcourt πŸ“‚ Article πŸ“… 1997 πŸ› John Wiley and Sons 🌐 English βš– 179 KB πŸ‘ 2 views

Single-zeta and -electron double-zeta basis sets are used to examine some theories of the origin of the stability of the D isomer of O , using ab initio 2 h 4 Ε½ valence-bond procedures. With these basis sets, resonance between covalent-type i.e., . O ΠΈ ΠΈ O valence-bond structures does not lead to a