caa a22 4500 469072180 CHVBK 20180323132924.0 cr unu---uuuuu 170328e19920601xx s 000 0 eng 10.1007/BF00678414 doi (NATIONALLICENCE)springer-10.1007/BF00678414 Electronic and topological chirality indexes for dissymmetric molecular systems [Elektronische Daten] [Anatoly Luzanov, Evgeny Babich] A new quantitative measure of molecular dissymmetry is proposed that is based on quantum-mechanical counterparts of notions extracted from differential geometry. Starting with the so-called torsion of a curve, we arrive at a chirality operator and appropriate average as the chirality index æ. The essential properties of æ are its additivity and also its ability to vanish for the racemic mixture of chiral structures. Some quantum-chemical approaches to calculating æ are presented, e.g., a typical one using only the adjacency matrix and the coordinates of atoms. Quasi-continuous and continuous systems, such as helices and Möbius-like structures, are studied. Plenum Publishing Corporation, 1992 Luzanov Anatoly Department of Chemistry, Kharkov State University, 310077, Kharkov, USSR aut Babich Evgeny Department of Chemistry, Kharkov State University, 310077, Kharkov, USSR aut Structural Chemistry Kluwer Academic Publishers 3/3(1992-06-01), 175-181 1040-0400 3:3<175 1992 3 11224 https://doi.org/10.1007/BF00678414 text/html Onlinezugriff via DOI 1 research-article jats NATIONALLICENCE 856 40 https://doi.org/10.1007/BF00678414 text/html Onlinezugriff via DOI NATIONALLICENCE 700 1- Luzanov Anatoly Department of Chemistry, Kharkov State University, 310077, Kharkov, USSR aut NATIONALLICENCE 700 1- Babich Evgeny Department of Chemistry, Kharkov State University, 310077, Kharkov, USSR aut NATIONALLICENCE 773 0- Structural Chemistry Kluwer Academic Publishers 3/3(1992-06-01), 175-181 1040-0400 3:3<175 1992 3 11224 Metadata rights reserved Springer special CC-BY-NC licence nationallicence BK010053 XK010053 XK010000 NATIONALLICENCE NATIONALLICENCE NL-springer