Solvent effects on photoreactivity of valerophenone: A combined QM and MM study

Journal of Organic Chemistry

Volumn 74, Issue 23, 2009, Pages 8956-8962

  Ding, Lina ^a   Shen, Lin ^a   Chen, Xue Bo ^a   Fang, Wei Hai ^a  

^a BEIJING NORMAL UNIVERSITY   (China)

Author keywords

[No Author keywords available]

Indexed keywords

AQUEOUS SOLUTIONS; AROMATIC KETONES; BLUE SHIFT; C-C BONDS; CAS-SCF; COMBINED METHOD; INTERMOLECULAR HYDROGEN BONDS; INTERSYSTEM CROSSING; PHOTOPHYSICAL; RED SHIFT; SHIFT REACTIONS; SOLVENT EFFECTS; TRIPLET STATE; TYPE II; WAVELENGTH REGIONS;

EXCITED STATES; HYDROGEN BONDS; KETONES; MOLECULAR MECHANICS; PHOTOEXCITATION; REACTION KINETICS;

COULOMB INTERACTIONS;

CARBON; CHEMICAL COMPOUND; HYDROGEN; KETONE; SOLVENT; UNCLASSIFIED DRUG; VALEROPHENONE; WATER;

AB INITIO CALCULATION; AQUEOUS SOLUTION; ARTICLE; CHEMICAL INTERACTION; CHEMICAL REACTION; DENSITY FUNCTIONAL THEORY; EXCITATION; FLUORESCENCE; HYDROGEN BOND; MOLECULAR MECHANICS; PHOSPHORESCENCE; PHOTOEXCITATION; PHOTOREACTIVITY; PREDICTION; QUANTUM YIELD; SOLVENT EFFECT;

ALCOHOL OXIDOREDUCTASES; BUTANES; ELECTRONS; HYDROGEN BONDING; KETONES; PHOTOCHEMISTRY; QUANTUM THEORY; SOLVENTS; WATER;

EID: 72249119039     PISSN: 00223263     EISSN: None     Source Type: Journal    
DOI: 10.1021/jo902080z     Document Type: Article

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