Density-Functional Tight-Binding Molecular Dynamics Simulations of Excess Proton Diffusion in Ice Ih, Ice Ic, Ice III, and Melted Ice VI Phases
Author:
Affiliation:
1. CREST, Japan Science and Technology Agency, Tokyo 102-0075, Japan
2. ESICB, Kyoto University, Kyoto 615-8520, Japan
Funder
Ministry of Education, Culture, Sports, Science and Technology
Japan Society for the Promotion of Science
Publisher
American Chemical Society (ACS)
Subject
Physical and Theoretical Chemistry
Link
https://pubs.acs.org/doi/pdf/10.1021/acs.jpca.7b10664
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