Solvent effect on the absorption spectra of coumarin 120 in water: A combined quantum mechanical and molecular mechanical study

Journal of Chemical Physics

Volumn 134, Issue 1, 2011, Pages

  Sakata, Tetsuya ^a   Kawashima, Yukio ^a   Nakano, Haruyuki ^a  

^a KYUSHU UNIVERSITY   (Japan)

Author keywords

[No Author keywords available]

Indexed keywords

AMINO GROUP; ENERGY CALCULATION; FIELD EFFECTS; MD SIMULATION; METHYL GROUP; MOLECULAR DYNAMICS SIMULATIONS; MOLECULAR MECHANICALS; PERTURBATION THEORY; POLAR SOLVENTS; QUANTUM MECHANICAL; RED SHIFT; SAMPLING SCHEMES; SOLUTE MOLECULES; SOLUTE STRUCTURES; SOLVENT EFFECTS; SOLVENT MOLECULES; SOLVENT SHIFT; SOLVENT STRUCTURES; TWO-COMPONENT;

ABSORPTION SPECTRA; BOND LENGTH; FUNCTIONAL GROUPS; LIGHT ABSORPTION; MOLECULAR DYNAMICS; MOLECULES; PERTURBATION TECHNIQUES; PRINCIPAL COMPONENT ANALYSIS; QUANTUM THEORY; SOLVENTS; WATER ABSORPTION;

ABSORPTION SPECTROSCOPY;

7 AMINO 4 METHYLCOUMARIN; 7-AMINO-4-METHYLCOUMARIN; COUMARIN DERIVATIVE; SOLVENT; WATER;

ARTICLE; CHEMISTRY; MOLECULAR DYNAMICS; QUANTUM THEORY; SPECTROSCOPY;

COUMARINS; MOLECULAR DYNAMICS SIMULATION; QUANTUM THEORY; SOLVENTS; SPECTRUM ANALYSIS; WATER;

EID: 78651340091     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3506616     Document Type: Article

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