Evaluating molecular asymmetry
| Autor: | V. E. Kuzmin, S. É. Alikhanidi |
|---|---|
| Rok vydání: | 1998 |
| Předmět: |
Physics
Symmetry element Degree (graph theory) Solid-state physics media_common.quotation_subject Molecular asymmetry Function (mathematics) Symmetry group Asymmetry Inorganic Chemistry Classical mechanics Materials Chemistry Molecule Statistical physics Physical and Theoretical Chemistry media_common |
| Zdroj: | Journal of Structural Chemistry. 39:447-451 |
| ISSN: | 1573-8779 0022-4766 |
| Popis: | A method for calculating the asymmetry parameters of molecules based on Avnir’s CSM approach combined with the “dissymmetry function” method is suggested. The performance of the approach is demonstrated on various geometrical models — high-symmetry antiprisms of S10 and D5 symmetry groups, helices, and molecular objects. It is shown that the MCSM method unambiguously determines the symmetry element or estimates the degree of asymmetry for molecules from different structural classes. |
| Databáze: | OpenAIRE |
| Externí odkaz: |
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