Communication: Regularizing binding energy distributions and thermodynamics of hydration: Theory and application to water modeled with classical and ab initio simulations

Journal of Chemical Physics

Volumn 135, Issue 18, 2011, Pages

  Weber, Valéry ^a   Merchant, Safir ^b   Asthagiri, D ^b  

^a IBM RESEARCH ZURICH   (Switzerland)

^b Johns Hopkins University   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

AB INITIO SIMULATIONS; CONDENSED SYSTEMS; ENERGY DISTRIBUTIONS; EXCESS CHEMICAL POTENTIALS; EXCESS FREE ENERGY; EXTERNAL FIELDS; FORMAL DEVELOPMENT; HIGH ENERGY TAILS; LIQUID WATER; REPULSIVE INTERACTIONS; SOLUTE-SOLVENT INTERACTION;

ELECTRIC POWER DISTRIBUTION; FREE ENERGY; THERMODYNAMICS;

BINDING ENERGY;

EID: 81155125051     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3660205     Document Type: Article

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