Complexity and chirality indices for molecular informatics: differential geometry approach
Novel molecular complexity measures are designed based on the quantum molecular kinematics. The Hamiltonian matrix constructed in a quasi-topological approximation describes the temporal evolution of the modelled electronic system and determines the time derivatives for the dynamic quantities. This...
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| Datum: | 2005 |
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| Hauptverfasser: | , |
| Format: | Artikel |
| Sprache: | English |
| Veröffentlicht: |
НТК «Інститут монокристалів» НАН України
2005
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| Schriftenreihe: | Functional Materials |
| Online Zugang: | http://dspace.nbuv.gov.ua/handle/123456789/139748 |
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| Назва журналу: | Digital Library of Periodicals of National Academy of Sciences of Ukraine |
| Zitieren: | Complexity and chirality indices for molecular informatics: differential geometry approach / A.V. Luzanov, D. Nerukh // Functional Materials. — 2005. — Т. 12, № 1. — С. 55-63. — Бібліогр.: 35 назв. — англ. |