Algorithm for estimating molecular dissymmetry

Authors
Markov, VM Potyomkin, VA Belik, AV
Citation
Vm. Markov et al., Algorithm for estimating molecular dissymmetry, J STRUCT CH, 39(3), 1998, pp. 407-412
Citations number
9
Categorie Soggetti
Physical Chemistry/Chemical Physics
Journal title
JOURNAL OF STRUCTURAL CHEMISTRY
ISSN journal
00224766 → ACNP
Volume
39
Issue
3
Year of publication
1998
Pages
407 - 412
Database
ISI
SICI code
0022-4766(199805/06)39:3<407:AFEMD>2.0.ZU;2-5
Abstract
A simple criterion for estimating molecular dissymmetry and an algorithm of its calculation are suggested. Calculations are performed for compounds be longing to different point groups. The new molecular characteristic may be used to predict the magnitude and sign of optical rotation.