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Use of colour symmetry in the theory of additive properties of molecules and complexes

✍ Scribed by Michael G. Clark


Publisher
Elsevier Science
Year
1970
Tongue
English
Weight
332 KB
Volume
6
Category
Article
ISSN
0009-2614

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πŸ“œ SIMILAR VOLUMES


Distributed polarizabilities using the t
✍ JΓ‘nos G. ÁngyΓ‘n; Georg Jansen; Michel Loss; Christof HΓ€ttig; Bernd A. Heß πŸ“‚ Article πŸ“… 1994 πŸ› Elsevier Science 🌐 English βš– 599 KB

Distributed atom-atom multipolar polarizabilities have been calculated at the coupled perturbed Hartree-Fock (CPHF) level, using Bader's topological theory to partition the molecular charge density into atomic domains. The proposed scheme applies without difficulty to molecules of arbitrary shape an