Computational investigations of the thermodynamic properties of size-selected water and Ar–water clusters: high-pressure transitions
Author:
Affiliation:
1. IT4Innovations National Supercomputing Center
2. VSB – Technical University of Ostrava
3. 70833 Ostrava
4. Czech Republic
5. Instituto de Fsica Fundamental (IFF-CSIC)
6. CSIC
7. 28006 Madrid
8. Spain
9. Department of Applied Mathematics
Abstract
Phase-diagram of the Ar(H2O)20 cluster from classical parallel-tempering Monte Carlo simulations. Structural changes occur at the indicated A, B and C regions.
Publisher
Royal Society of Chemistry (RSC)
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
http://pubs.rsc.org/en/content/articlepdf/2015/CP/C4CP04862H
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5. Theoretical study of phase transitions in Kr and Ar clathrate hydrates from structure II to structure I under pressure
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