Email this article New Approach to the Analysis of Molecular Packings in Crystals with the Use of Atom-Atom Potentials
- Authors: Maleev A.V.1, Gevorgyan A.A.1, Potekhin K.A.1
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Affiliations:
- Vladimir State University
- Issue: Vol 59, No 2 (2018)
- Pages: 455-462
- Section: Article
- URL: https://journals.rcsi.science/0022-4766/article/view/161894
- DOI: https://doi.org/10.1134/S0022476618020294
- ID: 161894
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Abstract
A new approach is proposed to study and describe molecular packings in crystals with the use of atom-atom potentials. The approach is applied to the problem of revealing stable intermolecular contacts and molecular agglomerates for two crystal structures previously investigated by single crystal X-ray diffraction.
About the authors
A. V. Maleev
Vladimir State University
Author for correspondence.
Email: andr_mal@mail.ru
Russian Federation, Vladimir
A. A. Gevorgyan
Vladimir State University
Email: andr_mal@mail.ru
Russian Federation, Vladimir
K. A. Potekhin
Vladimir State University
Email: andr_mal@mail.ru
Russian Federation, Vladimir
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