| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 1405574 | Journal of Molecular Structure | 2012 | 6 Pages |
Abstract
Calculations of internal rotation potential functions and NBO-analysis of electron density distribution in a conformer and transition states between enantiomers were performed to establish the reasons of stability of the found asymmetric structure of the studied molecule. The structure of free molecule of benzenesulfonic acid was compared with that of molecular form in crystal.
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Physical Sciences and Engineering
Chemistry
Organic Chemistry
Authors
Nina I. Giricheva, Georgiy V. Girichev, Yulia S. Medvedeva, Sergey N. Ivanov, Vyacheslav M. Petrov, Mikhail S. Fedorov,