Structural and electronic properties of aqueous NaCl solutions from ab initio molecular dynamics simulations with hybrid density functionals

Chemical Physics Letters

Volumn 604, Issue , 2014, Pages 89-96

  Gaiduk, Alex P ^a   Zhang, Cui ^b   Gygi, François ^c   Galli, Giulia ^a  

^a UNIVERSITY OF CHICAGO   (United States)

^b PRINCETON UNIVERSITY   (United States)

^c University of California Davis   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

HYDROGEN BONDS; IONS; MOLECULAR DYNAMICS;

AB INITIO MOLECULAR DYNAMICS; AB INITIO MOLECULAR DYNAMICS SIMULATION; AQUEOUS NACL SOLUTIONS; COORDINATION NUMBER; HYBRID FUNCTIONALS; INFINITE DILUTION; SEMILOCAL FUNCTIONALS; STRUCTURAL AND ELECTRONIC PROPERTIES;

ELECTRONIC PROPERTIES;

EID: 84901254800     PISSN: 00092614     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.cplett.2014.04.037     Document Type: Article

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