Solute-solvent charge transfer in aqueous solution

ChemPhysChem

Volumn 6, Issue 9, 2005, Pages 1715-1718

  Dal Peraro, Matteo ^a   Raugei, Simone ^b   Carloni, Paolo ^b   Klein, Michael L ^a  

^a UNIVERSITY OF PENNSYLVANIA   (United States)

^b SISSA   (Italy)

Author keywords

Charge transfer; Density functional calculations; Electronic structure; Ions; Peptides

Indexed keywords

ALKALI HALIDES; DENSITY FUNCTIONAL THEORY; ELECTRONIC STRUCTURE; IONS; MOLECULAR DYNAMICS; PEPTIDES;

ELECTRON TRANSFER; ELECTRONIC CHARGES; H-BONDS; INTERMOLECULAR CHARGE TRANSFER; MOLECULAR DYNAMICS SIMULATIONS; SOLUTE-SOLVENT INTERACTION;

CHARGE TRANSFER;

EID: 24944543136     PISSN: 14394235     EISSN: None     Source Type: Journal    
DOI: 10.1002/cphc.200500039     Document Type: Article

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