Quantum and classical molecular dynamics simulations of hydrophobic hydration structure around small solutes

Journal of Physical Chemistry B

Volumn 108, Issue 40, 2004, Pages 15865-15872

  Grossman, Jeffrey C ^a   Schwegler, Eric ^a   Galli, Giulia ^a  

^a LAWRENCE LIVERMORE NATIONAL LABORATORY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

APPROXIMATION THEORY; COMPUTER SIMULATION; HYDRATION; HYDROGEN BONDS; HYDROPHOBICITY; QUANTUM THEORY; THERMODYNAMICS; WATER;

FIRST PRINCIPLE MOLECULAR DYNAMICS (FPMD); NONPOLAR MOLECULES; SOLUTE; WATER MOLECULES;

MOLECULAR DYNAMICS;

EID: 6044273657     PISSN: 15206106     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp0470187     Document Type: Article

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