Valence bond and molecular orbital studies of three N2O isomers, and valence bond representations for some azide decompositions
✍ Scribed by Richard D. Harcourt; Feng Wang; Thomas M. Klapötke
- Publisher
- Springer-Verlag
- Year
- 2001
- Tongue
- English
- Weight
- 113 KB
- Volume
- 7
- Category
- Article
- ISSN
- 1610-2940
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## 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
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