Revised Parameters for the AMOEBA Polarizable Atomic Multipole Water Model

Journal of Physical Chemistry B

Volumn 119, Issue 29, 2015, Pages 9423-9437

  Laury, Marie L ^a   Wang, Lee Ping ^b   Pande, Vijay S ^b   Head Gordon, Teresa ^c   Ponder, Jay W ^a  

^a WASHINGTON UNIVERSITY   (United States)

^b STANFORD UNIVERSITY   (United States)

^c UNIVERSITY OF CALIFORNIA   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

MOLECULES; THERMAL EXPANSION;

BROAD TEMPERATURE RANGES; ENTHALPY OF VAPORIZATION; ISOTHERMAL COMPRESSIBILITY; OPTIMIZATION TECHNIQUES; POLARIZABLE WATER MODELS; SECOND VIRIAL COEFFICIENTS; TEMPERATURE OF MAXIMUM DENSITIES; THERMAL EXPANSION COEFFICIENTS;

PROTOZOA;

ION; WATER;

AUTOMATED PATTERN RECOGNITION; CHEMICAL MODEL; CHEMISTRY; DIFFUSION; PHASE TRANSITION; STATIC ELECTRICITY; SURFACE PROPERTY; TEMPERATURE; VALIDATION STUDY; VISCOSITY; X RAY DIFFRACTION;

DIFFUSION; IONS; MODELS, CHEMICAL; PATTERN RECOGNITION, AUTOMATED; PHASE TRANSITION; STATIC ELECTRICITY; SURFACE PROPERTIES; TEMPERATURE; VISCOSITY; WATER; X-RAY DIFFRACTION;

EID: 84938125050     PISSN: 15206106     EISSN: 15205207     Source Type: Journal    
DOI: 10.1021/jp510896n     Document Type: Article

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