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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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Bibliographic Details
Main Authors: Luzanov, A.V., Nerukh, D.
Format: Article
Language:English
Published: НТК «Інститут монокристалів» НАН України 2005
Series:Functional Materials
Online Access:http://dspace.nbuv.gov.ua/handle/123456789/139748
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