Time dependent density functional theory study of charge-transfer and intramolecular electronic excitations in acetone-water systems

Journal of Chemical Physics

Volumn 119, Issue 23, 2003, Pages 12417-12431

  Bernasconi, Leonardo ^a   Sprik, Michiel ^a   Hutter, Jürg ^b  

^a UNIVERSITY OF CAMBRIDGE   (United Kingdom)

^b UNIVERSITY OF ZURICH   (Switzerland)

Author keywords

[No Author keywords available]

Indexed keywords

ACETONE; CHARGE TRANSFER; CHEMICAL ANALYSIS; MOLECULAR DYNAMICS; MOLECULAR PHYSICS; PHASE TRANSITIONS; POLARIZATION; SPECTROSCOPIC ANALYSIS; TRANSITION FLOW; WATER;

ACETONE-WATER SYSTEMS; INTRAMOLECULAR ELECTRONIC EXCITATIONS; SOLUTE SOLVENT CHARGE TRANSFER EXCITATIONS; SOLVATOCHROMIC SHIFT; TIME DEPENDENT DENSITY FUNCTIONAL THEORY;

PHYSICAL CHEMISTRY;

EID: 0346058181     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1625633     Document Type: Article

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