Natural polarizability and flexibility via explicit valency: The case of water

Journal of Chemical Physics

Volumn 136, Issue 8, 2012, Pages

  Kale, Seyit ^a   Herzfeld, Judith ^a  

^a BRANDEIS UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

POLARIZATION; PROTON TRANSFER;

ATOMISTIC SIMULATIONS; BIOLOGICAL MACROMOLECULE; CHEMICAL THEORIES; CONFORMATIONAL CHANGE; EFFICIENT SIMULATION; IONIZATION STATE; UNIFIED DESCRIPTION; VALENCE ELECTRON;

IONIZATION OF LIQUIDS;

PROTON; SOLVENT; WATER;

ARTICLE; CHEMICAL MODEL; CHEMISTRY; COMPUTER SIMULATION; PROTEIN CONFORMATION; THERMODYNAMICS;

COMPUTER SIMULATION; MODELS, CHEMICAL; PROTEIN CONFORMATION; PROTONS; SOLVENTS; THERMODYNAMICS; WATER;

EID: 84857818284     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3688228     Document Type: Article

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