Time-dependent density functional theory study on the electronic excited-state hydrogen-bonding dynamics of 4-Aminophthalimide (4AP) in aqueous solution: 4AP and 4AP-(H2O)1,2 clusters

Journal of Computational Chemistry

Volumn 31, Issue 11, 2010, Pages 2157-2163

  Wang, R U I ^a   Hao, C E ^a   Peng, L I ^b   Ning Ning, W E I ^a   Chen, Jingwen ^a   Jieshan, Q I U ^a  

^a DALIAN UNIVERSITY OF TECHNOLOGY   (China)

^b DALIAN INSTITUTE OF CHEMICAL PHYSICS   (China)

Author keywords

Electronic spectra; Excited state; Hydrogen bonding dynamics; Infrared spectra; TDDFT

Indexed keywords

ELECTRONIC SPECTRA; ELECTRONIC SPECTRUM; HYDROGEN BONDINGS; HYDROGEN-BONDING DYNAMICS; INFRARED SPECTRUM;

CHROMOPHORES; DENSITY FUNCTIONAL THEORY; DYNAMICS; ELECTRONIC STATES; EXCITED STATES; HYDROGEN; INFRARED SPECTROSCOPY; PHOTOEXCITATION; SOLVENTS; STRENGTHENING (METAL);

HYDROGEN BONDS;

EID: 77954252179     PISSN: 01928651     EISSN: 1096987X     Source Type: Journal    
DOI: 10.1002/jcc.21504     Document Type: Article

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