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Analysis of diffraction data in terms of molecular potential functions

โœ Scribed by V.P. Spiridonov


Publisher
Elsevier Science
Year
1995
Tongue
English
Weight
724 KB
Volume
346
Category
Article
ISSN
0022-2860

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๐Ÿ“œ SIMILAR VOLUMES


Analysis of molecular orbital wave funct
โœ P. C. Hiberty ๐Ÿ“‚ Article ๐Ÿ“… 1981 ๐Ÿ› John Wiley and Sons ๐ŸŒ English โš– 544 KB

## Abstract A method of expansion of molecular orbital wave functions into valence bond (VB) functions is extended to molecular fragments. The wave function is projected onto a basis of mixed determinants, involving molecular orbitals as well as fragment atomic orbitals, and is further expressed as