๐”– Bobbio Scriptorium
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The transformation of CAS SCF wavefunctions to valence bond space

โœ Scribed by Joseph J.W. McDouall; M.A. Robb


Publisher
Elsevier Science
Year
1987
Tongue
English
Weight
450 KB
Volume
142
Category
Article
ISSN
0009-2614

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๐Ÿ“œ SIMILAR VOLUMES


Bond orders and valencies from ab initio
โœ Hugo O. Villar; Michel Dupuis ๐Ÿ“‚ Article ๐Ÿ“… 1987 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 638 KB

Recent improved definitions of bond order and valencies are reviewed. Extensive tests of the determination of these properties from ab initio wavefunctions are reported, using prototypical molecules, such as methyl radical, ethylene, acetylene, water and hydrogen fluoride. The extension of these def