Enviar artigo por via de e-mail New Approach to the Analysis of Molecular Packings in Crystals with the Use of Atom-Atom Potentials
- Autores: Maleev A.V.1, Gevorgyan A.A.1, Potekhin K.A.1
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Afiliações:
- Vladimir State University
- Edição: Volume 59, Nº 2 (2018)
- Páginas: 455-462
- Seção: Article
- URL: https://journal-vniispk.ru/0022-4766/article/view/161894
- DOI: https://doi.org/10.1134/S0022476618020294
- ID: 161894
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Resumo
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.
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Sobre autores
A. Maleev
Vladimir State University
Autor responsável pela correspondência
Email: andr_mal@mail.ru
Rússia, Vladimir
A. Gevorgyan
Vladimir State University
Email: andr_mal@mail.ru
Rússia, Vladimir
K. Potekhin
Vladimir State University
Email: andr_mal@mail.ru
Rússia, Vladimir
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