A combined experimental and theoretical study of ion solvation in liquid N -methylacetamide

Journal of the American Chemical Society

Volumn 132, Issue 31, 2010, Pages 10847-10856

  Yu, Haibo ^a   Mazzanti, Christopher L ^b   Whitfield, Troy W ^c,e   Koeppe, Roger E ^b   Andersen, Olaf S ^d   Roux, Benoît ^a,c  

^a UNIVERSITY OF CHICAGO   (United States)

^b UNIVERSITY OF ARKANSAS   (United States)

^c ARGONNE NATIONAL LABORATORY   (United States)

^d WEILL CORNELL MEDICAL COLLEGE   (United States)

^e UNIVERSITY OF MASSACHUSETTS MEDICAL SCHOOL   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

AB INITIO; ATOMIC CHARGE; BIOLOGICAL CHANNELS; BIOMOLECULAR SIMULATION; CONDENSED PHASIS; COULOMBIC INTERACTIONS; DRUDE OSCILLATORS; ELECTROSTATIC ENERGIES; HALIDE IONS; HETEROGENEOUS ENVIRONMENTS; INDUCED POLARIZATION; ION PERMEATION; ION SOLVATION; LIQUID N-METHYLACETAMIDE; MANY-BODY; MEMBRANE CHANNELS; N-METHYLACETAMIDE; PEPTIDE BONDS; POLARIZABLE MODEL; PROTEIN BACKBONE; SOLUBILITY MEASUREMENT; SOLVATION FREE ENERGIES; THEORETICAL STUDY; WATER MOLECULE;

ALKALI HALIDES; AMIDES; BIOPHYSICS; GAS PERMEABLE MEMBRANES; LIQUIDS; OXYGEN; PERMEATION; POLARIZATION; POTENTIAL ENERGY FUNCTIONS; PROTEINS; SODIUM CHLORIDE; SOLVATION;

IONS;

ALKALI; HALIDE; N METHYLACETAMIDE; POTASSIUM CHLORIDE; SODIUM CHLORIDE;

AB INITIO CALCULATION; ARTICLE; ATOM; CHEMICAL INTERACTION; CHEMICAL MODEL; CHEMICAL STRUCTURE; CONTROLLED STUDY; ELECTRICITY; ENERGY; EXPERIMENTAL STUDY; GAS; ION TRANSPORT; LIQUID; MEMBRANE CHANNEL; MOLECULE; OSCILLATOR; POLARIZATION; PROTEIN BINDING; SIMULATION; SOLUBILITY; SOLVATION; THEORETICAL STUDY; THERMODYNAMICS;

ACETAMIDES; COMPUTER SIMULATION; IONS; PEPTIDES; POTASSIUM CHLORIDE; SODIUM CHLORIDE; SOLUBILITY; THERMODYNAMICS;

EID: 77955368256     PISSN: 00027863     EISSN: 15205126     Source Type: Journal    
DOI: 10.1021/ja103270w     Document Type: Article

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