𝔖 Bobbio Scriptorium
✦   LIBER   ✦

The valence bond description of xylylenes

✍ Scribed by Philippe C. Hiberty; Padeleimon Karafiloglou


Publisher
Springer
Year
1982
Tongue
English
Weight
347 KB
Volume
61
Category
Article
ISSN
1432-2234

No coin nor oath required. For personal study only.


πŸ“œ SIMILAR VOLUMES


The valence bond description of conjugat
✍ P. C. Hiberty; G. Ohanessian πŸ“‚ Article πŸ“… 1985 πŸ› John Wiley and Sons 🌐 English βš– 686 KB

## Abstract Aiming at developing an approximate method to get good quality valence bond functions for any closed‐shell delocalized system, we analyze their SCF functions in terms of weighted bonding schemes, and investigate the general rules relating the weights of ionic structures to those of cova

Modern valence-bond description of the e
✍ Peter B. Karadakov; Joseph Gerratt; David L. Cooper; Mario Raimondi; Maurizio Si πŸ“‚ Article πŸ“… 1996 πŸ› John Wiley and Sons 🌐 English βš– 708 KB

The ground state of benzocyclobutadiene, a bicyclic molecule with 8rr electrons containing a benzene and a cyclobutadiene ring, is studied by means of modern valence bond (VB) theory in its spin-coupled (SC) form and the complete-active-space self-consistent field (CAS SCF) approach. The CAS SCF wav