A technique to improve the representation of the junctions in multicentered multipolar expansions is described for large molecules built from constituent fragments. Molecules with polar (silica cluster), non-polar (butane) and conjugated bonds (hexatriene) are treated as examples.
β¦ LIBER β¦
A representation of the exchange operator useful for large molecules
β Scribed by Renato Colle; Oriano Salvetti
- Publisher
- Springer
- Year
- 1991
- Tongue
- English
- Weight
- 425 KB
- Volume
- 80
- Category
- Article
- ISSN
- 1432-2234
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