Theoretical study of static (Hyper)polarizabilities of twisted intramolecular charge transfer chromophores

International Journal of Quantum Chemistry

Volumn 112, Issue 4, 2012, Pages 1086-1096

  Liu, Liuxia ^a   Xue, Ying ^a   Wang, Xin ^a   Chu, Xiang ^a   Yang, Mingli ^a  

^a SICHUAN UNIVERSITY   (China)

Author keywords

(hyper)polarizability; DFT calculation; solvent effect; substitution effect; twisted D A chromophores

Indexed keywords

CHARGE TRANSFER; DENSITY FUNCTIONAL THEORY; NONLINEAR OPTICS; POLARIZATION; SOLVENTS;

DENSITY FUNCTIONAL THEORY CALCULATIONS; DFT CALCULATION; DIFFERENT SOLVENTS; ELECTRON WITHDRAWING GROUP; ELECTRON-DONATING; HYPER-POLARIZABILITY; NONLINEAR OPTICAL RESPONSE; POLARIZABILITIES; SOLVENT EFFECT; SOLVENT EFFECTS; SUBSTITUTION EFFECT; THEORETICAL STUDY; TWISTED INTRA-MOLECULAR CHARGE TRANSFERS;

CHROMOPHORES;

EID: 84962377328     PISSN: 00207608     EISSN: 1097461X     Source Type: Journal    
DOI: 10.1002/qua.23087     Document Type: Article

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