𝔖 Bobbio Scriptorium
✦   LIBER   ✦

Thinking and Computing Valence Bond in Organic Chemistry

✍ Scribed by Philippe C. Hiberty


Publisher
John Wiley and Sons
Year
2003
Weight
49 KB
Volume
34
Category
Article
ISSN
0931-7597

No coin nor oath required. For personal study only.


πŸ“œ SIMILAR VOLUMES


Computational developments in generalize
✍ Wang, Youliang; Poirier, Raymond A. πŸ“‚ Article πŸ“… 1996 πŸ› John Wiley and Sons 🌐 English βš– 927 KB

In this article a procedure for generating starting orbitals for generalized valence bond (GVB) calculations is presented. This is achieved by selecting orbitals which correspond to specific bonds or electron pairs. These orbitals can be identified from the localized molecular orbitals, for both occ

Bond lengths and valences in BaBiO3
✍ N.K McGuire; M O'Keeffe πŸ“‚ Article πŸ“… 1984 πŸ› Elsevier Science 🌐 English βš– 148 KB
Valence and bonds in the new superconduc
✍ Xavier Oudet πŸ“‚ Article πŸ“… 1988 πŸ› Elsevier Science 🌐 English βš– 157 KB

The Cu(2p) or O(Is) spectra of several new superconductors are found to indicate only Cu 2+ contribution and O(2p) holes that is 0 I-. An attempt has been made to explain these results based on crystal structure and bond considerations. The study of the crystal structure of YBa2Cu307 allows to locat