Open Access
Crystal Growth and Design, volume 14, issue 7, pages 3576-3586
Applied Topological Analysis of Crystal Structures with the Program Package ToposPro
Publication type: Journal Article
Publication date: 2014-06-05
Journal:
Crystal Growth and Design
Quartile SCImago
Q2
Quartile WOS
Q1
Impact factor: 3.8
ISSN: 15287483, 15287505
General Chemistry
Condensed Matter Physics
General Materials Science
Abstract
Basic concepts of computer topological analysis of crystal structures realized in the current version of the program package ToposPro are considered. Applications of the ToposPro methods to various classes of chemical compounds—coordination polymers, molecular crystals, supramolecular ensembles, inorganic ionic compounds, intermetallics, fast-ion conductors, microporous materials—are illustrated by many examples. It is shown that chemically and crystallographically different structures can be automatically treated in a similar way with the ToposPro approaches.
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Blatov V. A. et al. Applied Topological Analysis of Crystal Structures with the Program Package ToposPro // Crystal Growth and Design. 2014. Vol. 14. No. 7. pp. 3576-3586.
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Blatov V. A., Shevchenko A. P., Proserpio D. M. Applied Topological Analysis of Crystal Structures with the Program Package ToposPro // Crystal Growth and Design. 2014. Vol. 14. No. 7. pp. 3576-3586.
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TY - JOUR
DO - 10.1021/cg500498k
UR - https://doi.org/10.1021%2Fcg500498k
TI - Applied Topological Analysis of Crystal Structures with the Program Package ToposPro
T2 - Crystal Growth and Design
AU - Blatov, Vladislav A.
AU - Shevchenko, Alexander P.
AU - Proserpio, Davide M.
PY - 2014
DA - 2014/06/05 00:00:00
PB - American Chemical Society (ACS)
SP - 3576-3586
IS - 7
VL - 14
SN - 1528-7483
SN - 1528-7505
ER -
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@article{2014_Blatov,
author = {Vladislav A. Blatov and Alexander P. Shevchenko and Davide M. Proserpio},
title = {Applied Topological Analysis of Crystal Structures with the Program Package ToposPro},
journal = {Crystal Growth and Design},
year = {2014},
volume = {14},
publisher = {American Chemical Society (ACS)},
month = {jun},
url = {https://doi.org/10.1021%2Fcg500498k},
number = {7},
pages = {3576--3586},
doi = {10.1021/cg500498k}
}
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Blatov, Vladislav A., et al. “Applied Topological Analysis of Crystal Structures with the Program Package ToposPro.” Crystal Growth and Design, vol. 14, no. 7, Jun. 2014, pp. 3576-3586. https://doi.org/10.1021%2Fcg500498k.
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