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The Molecular Mechanics of Quantized Valence Bonds

✍ Scribed by Vernon G. S. Box

Publisher
Springer-Verlag
Year
1997
Tongue
English
Weight
156 KB
Volume
3
Category
Article
ISSN
1610-2940

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πŸ“œ SIMILAR VOLUMES

Molecular mechanics valence bond methods
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✍ Michael J. Bearpark; Michael A. Robb; Fernando Bernardi; Massimo Olivucci πŸ“‚ Article πŸ“… 1994 πŸ› Elsevier Science 🌐 English βš– 568 KB

The implementation of the Clifford-algebra unitary group approach (first discussed by Paldus) in the context of a Heisenberg Hamiltonian formulation of the VB problem is described. It is demonstrated that this technique leads to an efficient extension of the molecular mechanics valence bond (MM-VB)