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Quantitative aspects of chirality. I. Method of dissymmetry function
Author(s) -
Kuz'min V. E.,
Stel'makh I. B.,
Bekker M. B.,
Pozigun D. V.
Publication year - 1992
Publication title -
journal of physical organic chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.325
H-Index - 66
eISSN - 1099-1395
pISSN - 0894-3230
DOI - 10.1002/poc.610050603
Subject(s) - chirality (physics) , chemistry , asymmetry , symmetry (geometry) , function (biology) , reflection symmetry , molecule , reflection (computer programming) , computational chemistry , chiral symmetry , geometry , physics , quantum mechanics , mathematics , organic chemistry , evolutionary biology , computer science , nambu–jona lasinio model , biology , programming language , quark
To study molecular features connected with chirality, a procedure for the quantitative estimation of the chirality level of compounds of different classes is needed. A procedure for estimating the molecular asymmetry level relative to mirror‐reflection axes of symmetry, S 1 , S 2 , S 4 and S 6 , has been developed. The geometrical mean of these parameters is the disymmetry function ( DF ). To calculate the DF , the molecule must be fixed in the coordinate system, transferred to the main axes of inertia.