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- Publisher
- Wiley
- Copyright
- Copyright © 2015 Wiley Subscription Services, Inc., A Wiley Company
- ISSN
- 0108-7673
- eISSN
- 1600-5724
- DOI
- 10.1107/S2053273315008864
- pmid
- 26131899
- Publisher site
- See Article on Publisher Site
Abstract
A new approach to the investigation of the proton‐disordered structure of clathrate hydrates is presented. This approach is based on topological crystallography. The quotient graphs were built for the unit cells of the cubic structure I and the hexagonal structure H. This is a very convenient way to represent the topology of a hydrogen‐bonding network under periodic boundary conditions. The exact proton configuration statistics for the unit cells of structure I and structure H were obtained using the quotient graphs. In addition, the statistical analysis of the proton transfer along hydrogen‐bonded chains was carried out.
Journal
Acta Crystallographica Section A Foundations of Crystallography – Wiley
Published: Jul 1, 2015
Keywords: ; ; ;