Optimizing potentials for a liquid mixture: A new force field for a tert -butanol and water solution

Journal of Physical Chemistry B

Volumn 119, Issue 3, 2015, Pages 836-849

  Di Pierro, Michele ^a   Mugnai, Mauro L ^b   Elber, Ron ^a,b  

^a UNIVERSITY OF TEXAS AT AUSTIN   (United States)

^b University of Texas at Austin   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

LIQUIDS; OPTIMIZATION;

CONDENSED-PHASE SIMULATIONS; DIRECT CALCULATION; LIQUID MIXTURE; PAIR CORRELATION FUNCTIONS; POTENTIAL PARAMETERS; ROBUST OPTIMIZATION; TRUST REGION; WATER SOLUTIONS;

MIXTURES;

EID: 84921482880     PISSN: 15206106     EISSN: 15205207     Source Type: Journal    
DOI: 10.1021/jp505401m     Document Type: Article

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