First principles simulations of the infrared spectrum of liquid water using hybrid density functionals

Journal of Chemical Theory and Computation

Volumn 7, Issue 5, 2011, Pages 1443-1449

  Zhang, Cui ^a   Donadio, Davide ^a,c   Gygi, François ^a,b   Galli, Giulia ^a  

^a UNIVERSITY OF CALIFORNIA   (United States)

^b University of California   (United States)

^c MAX PLANCK INSTITUTE FOR POLYMER RESEARCH   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 79955903974     PISSN: 15499618     EISSN: 15499626     Source Type: Journal    
DOI: 10.1021/ct2000952     Document Type: Article

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