Intermolecular interactions in complex liquids: Effective fragment potential investigation of water- tert -butanol mixtures

Journal of Physical Chemistry B

Volumn 116, Issue 9, 2012, Pages 2775-2786

  Hands, Michael D ^a   Slipchenko, Lyudmila V ^a  

^a PURDUE UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ALCOHOLS; BINDING ENERGY; DISPERSIONS; MOLECULAR DYNAMICS; POLARIZATION;

AB INITIO CALCULATIONS; BONDING PATTERNS; COMPLEX LIQUID; COORDINATION NUMBER; DISPERSION ENERGIES; EFFECTIVE FRAGMENT POTENTIAL METHODS; EFFECTIVE FRAGMENT POTENTIALS; ENERGY COMPONENTS; FRAGMENT MOLECULES; INTERMOLECULAR DISTANCE; INTERMOLECULAR INTERACTIONS; MODEL POTENTIAL; MOLE FRACTION; MOLECULAR DYNAMICS SIMULATIONS; MOLECULAR LEVELS; POLARIZATION ENERGY; RADIAL DISTRIBUTION FUNCTIONS; TERT BUTANOL; TOTAL POTENTIAL ENERGY; WATER MIXTURE;

DIMERS;

EID: 84858021420     PISSN: 15206106     EISSN: 15205207     Source Type: Journal    
DOI: 10.1021/jp2077566     Document Type: Article

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