Modeling Molecular Interactions in Water: From Pairwise to Many-Body Potential Energy Functions

Chemical Reviews

Volumn 116, Issue 13, 2016, Pages 7501-7528

  Cisneros, Gerardo Andrés ^a   Wikfeldt, Kjartan Thor ^b,c   Ojamäe, Lars ^g   Lu, Jibao ^d   Xu, Yao ^e   Torabifard, Hedieh ^a   Bartók, Albert P ^f   Csányi, Gábor ^f   Molinero, Valeria ^d   Paesani, Francesco ^h  

^a WAYNE STATE UNIVERSITY   (United States)

^b UNIVERSITY OF ICELAND   (Iceland)

^c STOCKHOLM UNIVERSITY   (Sweden)

^d UNIVERSITY OF UTAH   (United States)

^e RUHR UNIVERSITY BOCHUM   (Germany)

^f UNIVERSITY OF CAMBRIDGE   (United Kingdom)

^g LINKÖPING UNIVERSITY   (Sweden)

^h UNIVERSITY OF CALIFORNIA   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ELECTRONIC STRUCTURE; MOLECULAR PHYSICS; POTENTIAL ENERGY;

ANALYTICAL POTENTIAL ENERGY FUNCTIONS; ELECTRONIC STRUCTURE CALCULATIONS; INTERACTION ENERGIES; MANY-BODY EFFECT; MANY-BODY EXPANSION; RECENT PROGRESS; STATE OF THE ART; UNIVERSAL MODEL;

POTENTIAL ENERGY FUNCTIONS;

WATER;

CHEMISTRY; COMPUTER SIMULATION; MOLECULAR MODEL;

COMPUTER SIMULATION; MODELS, MOLECULAR; WATER;

EID: 84978387833     PISSN: 00092665     EISSN: 15206890     Source Type: Journal    
DOI: 10.1021/acs.chemrev.5b00644     Document Type: Review

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