A DFT/TDDFT study on the excited-state hydrogen bonding dynamics of 6-aminocoumarin in water solution

Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy

Volumn 101, Issue , 2013, Pages 191-195

  Zhang, Mingzhen ^a   Ren, Baiping ^a   Wang, Yi ^a   Zhao, Changxin ^a  

^a DALIAN POLYTECHNIC UNIVERSITY   (China)

Author keywords

DFT TDDFT; Electronic transition; Excited state; Hydrogen bond

Indexed keywords

BIOLOGICAL MOLECULE; BLUE SHIFT; DENSITY FUNCTIONAL THEORY METHODS; DFT/TDDFT; ELECTRONIC TRANSITION; HYDROGEN BONDING DYNAMICS; INTERMOLECULAR HYDROGEN BONDING; LONG-WAVELENGTH BANDS; PHOTOINDUCED CHARGE TRANSFER; SITE-SPECIFIC; SOLUTE-SOLVENT INTERACTION; THEORETICAL EXPLANATION; THEORETICAL STUDY; TIME DEPENDENT DENSITY FUNCTIONAL THEORY; WATER MOLECULE; WATER SOLUTIONS;

CHARGE TRANSFER; DENSITY FUNCTIONAL THEORY; DYNAMICS; EXCITED STATES; MOLECULES; PHOTOEXCITATION;

HYDROGEN BONDS;

6 AMINO 1,2 BENZOPYRONE; 6-AMINO-1,2-BENZOPYRONE; COUMARIN DERIVATIVE; WATER;

ARTICLE; CHEMICAL STRUCTURE; CHEMISTRY; HYDROGEN BOND; PHOTOCHEMISTRY; QUANTUM THEORY;

COUMARINS; HYDROGEN BONDING; MODELS, MOLECULAR; PHOTOCHEMICAL PROCESSES; QUANTUM THEORY; WATER;

EID: 84867747730     PISSN: 13861425     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.saa.2012.09.045     Document Type: Article

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