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Volumn 131, Issue 11, 2011, Pages 2279-2285
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Time-dependent density functional theory study on electronic excited states of the hydrogen-bonded solutesolvent phenol(H2O)n (n=35) clusters
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Author keywords
Excited state; Infrared spectra; Intermolecular hydrogen bond; Phenol; TDDFT
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Indexed keywords
ELECTRONIC EXCITATION;
ELECTRONIC EXCITED STATE;
GEOMETRIC STRUCTURE;
H-BONDED;
H-DONORS;
HYDROGEN-BONDED PHENOLS;
INFRARED SPECTRA;
INTERMOLECULAR HYDROGEN BONDS;
IR SPECTRUM;
SOLUTE-SOLVENT INTERACTION;
SOLUTESOLVENT;
TDDFT;
TIME DEPENDENT DENSITY FUNCTIONAL THEORY;
DENSITY FUNCTIONAL THEORY;
ELECTRIC EXCITATION;
EXCITED STATES;
GROUND STATE;
HYDROGEN;
PHENOLS;
PLASMA THEORY;
SPECTROSCOPY;
HYDROGEN BONDS;
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EID: 79959272904
PISSN: 00222313
EISSN: None
Source Type: Journal
DOI: 10.1016/j.jlumin.2011.06.006 Document Type: Article |
Times cited : (8)
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References (56)
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