The role of broken symmetry in solvation of a spherical cavity in classical and quantum water models

Journal of Physical Chemistry Letters

Volumn 5, Issue 16, 2014, Pages 2767-2774

  Remsing, Richard C ^a,c   Baer, Marcel D ^b   Schenter, Gregory K ^b   Mundy, Christopher J ^b   Weeks, John D ^a  

^a University of Maryland   (United States)

^b PACIFIC NORTHWEST NATIONAL LABORATORY   (United States)

^c UNIVERSITY OF PENNSYLVANIA   (United States)

Author keywords

Bethe potential; Born theory; density functional theory; electrostatic potentials; solvation

Indexed keywords

DENSITY FUNCTIONAL THEORY; ELECTROSTATICS; HYDROGEN BONDS; QUANTUM THEORY; THERMODYNAMICS;

BETHE POTENTIAL; BORN THEORY; ELECTROSTATIC POTENTIALS; INTERACTION POTENTIALS; PHYSICAL INTERPRETATION; POINT-CHARGE MODELS; QUANTUM MECHANICAL; TRANSLATIONAL SYMMETRY;

SOLVATION;

EID: 84906519011     PISSN: None     EISSN: 19487185     Source Type: Journal    
DOI: 10.1021/jz501067w     Document Type: Article

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