How van der waals interactions determine the unique properties of water

Proceedings of the National Academy of Sciences of the United States of America

Volumn 113, Issue 30, 2016, Pages 8368-8373

  Morawietz, Tobias ^a,b   Singraber, Andreas ^b   Dellago, Christoph ^b   Behler, Jörg ^a  

^a RUHR UNIVERSITY BOCHUM   (Germany)

^b UNIVERSITY OF VIENNA   (Austria)

Author keywords

Ab initio liquid water; Density functional theory; Neural network potentials; Van der waals interactions; Water structure

Indexed keywords

WATER;

AB INITIO CALCULATION; ARTICLE; ARTIFICIAL NEURAL NETWORK; COOLING; DIELECTRIC CONSTANT; DIPOLE; DISPERSION; HYDROGEN BOND; MELTING POINT; MOLECULAR DYNAMICS; MOLECULAR MECHANICS; PRIORITY JOURNAL; PROTON TRANSPORT; SOLVATION; STATIC ELECTRICITY; SURFACE PROPERTY; THERMODYNAMICS; VAN DER WAALS FORCE; WATER ANALYSIS; WATER STRUCTURE;

EID: 84979620554     PISSN: 00278424     EISSN: 10916490     Source Type: Journal    
DOI: 10.1073/pnas.1602375113     Document Type: Article

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