THE MINIMAL SET OF INTERMOLECULAR INTERACTIONS IN THE STRUCTURES OF SUBSTITUTED PROLINES
| dc.contributor.author | Alexander BANARU | |
| dc.contributor.author | Alexander KOCHNEV | |
| dc.date.accessioned | 2024-10-17T10:23:20Z | |
| dc.date.issued | 2017-03-30 | |
| dc.description | STUDIA UBB CHEMIA, LXII, 1, 2017 (p. 121-128), DOI:10.24193/subbchem.2017.1.10 Alexander BANARU Faculty of Chemistry, Moscow State University, Moscow, Russia. *Corresponding author: banaru@phys.chem.msu.ru https://orcid.org/0000-0003-1260-3848 Alexander KOCHNEV Faculty of Chemistry, Moscow State University, Moscow, Russia https://orcid.org/0000-0002-9223-7536 | |
| dc.description.abstract | In this paper the calculation of intermolecular interaction energy based on Gavezzotti–Filippini semi-empirical method was performed for the series of substituted prolines. The initial structural data were mined from Cambridge Structural Database. The topology of each structure was analyzed with respect to a minimal generator set of the space group. It was shown that the least number of strong symmetrically independent interactions required to generate a crystal structure is likely to exceed the cardinality of a minimal generator set. | |
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| dc.identifier.issn | 1224-7154 | |
| dc.identifier.issn | (online): 2065-9520 | |
| dc.identifier.uri | http://dspace.chem.ubbcluj.ro:4000/handle/20.500.14637/43 | |
| dc.language.iso | en | |
| dc.publisher | STUDIA UBB CHEMIA. Published by Babeş-Bolyai University | |
| dc.relation.ispartofseries | STUDIA UBB CHEMIA, LXII, 1, 2017 (p. 121-128), DOI:10.24193/subbchem.2017.1.10 | |
| dc.subject | intermolecular interaction | |
| dc.subject | lattice energy | |
| dc.subject | space group generator | |
| dc.subject | minimal generator set | |
| dc.title | THE MINIMAL SET OF INTERMOLECULAR INTERACTIONS IN THE STRUCTURES OF SUBSTITUTED PROLINES | |
| dc.type | Article |