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Applied Topological Analysis of Crystal Structures with the Program Package ToposPro
Open accessAbstract
High Resolution Image Download MS PowerPoint Slide 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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Cited by
Georgakilas, V., Perman, J. A., Tucek, J., & Zboril, R. (2015) · Chemical Reviews · doi:10.1021/cr500304f · Cited by 2,147
Chung, Y. G., Haldoupis, E., Bucior, B. J., Haranczyk, M., Lee, S., Zhang, H., Vogiatzis, K. D., Milisavljevic, M., Ling, S., Camp, J. S., et al. (2019) · Journal of Chemical & Engineering Data · doi:10.1021/acs.jced.9b00835 · Cited by 863
A porous metal-organic framework with ultrahigh acetylene uptake capacity under ambient conditions
Pang, J., Jiang, F., Wu, M., Liu, C., Su, K., Lu, W., Yuan, D., & Hong, M. (2015) · Nature Communications · doi:10.1038/ncomms8575 · Cited by 316
PDF-5+: a comprehensive Powder Diffraction File™ for materials characterization
Kabekkodu, S. N., Dosen, A., & Blanton, T. N. (2024) · Powder Diffraction · doi:10.1017/s0885715624000150 · Cited by 281
Berger, G., Soubhye, J., & Meyer, F. (2015) · Polymer Chemistry · doi:10.1039/c5py00354g · Cited by 260
Metadata
- Authors
- Blatov, V. A., Shevchenko, A. P., & Proserpio, D. M.
- Venue
- Crystal Growth & Design
- Publisher
- American Chemical Society (ACS)
- Published
- 2014-06-05
- Volume
- 14
- Issue
- 7
- Pages
- 3576-3586
- ISSN
- 1528-7483 (ISSN-L)
- 1528-7505
- OpenAlex
- W2328906361
- Cited by
- 3,167
- References
- 0
- FWCI
- 96.23
- Type
- journal article
- Language
- en
- Open access
- hybrid
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- CoChat. (2026). Citation check: Applied Topological Analysis of Crystal Structures with the Program Package ToposPro. https://app.cochat.ai/papers/10.1021/cg500498k
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- Blatov, V. A., Shevchenko, A. P., & Proserpio, D. M. (2014). Applied Topological Analysis of Crystal Structures with the Program Package ToposPro. Crystal Growth & Design. https://doi.org/10.1021/cg500498k
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