Computational study of static first hyperpolarizability of donor-acceptor substituted (E)-benzaldehyde phenylhydrazone

Journal of Computational Chemistry

Volumn 32, Issue 4, 2011, Pages 730-736

  Lu, Shih I ^a  

^a SOOCHOW UNIVERSITY   (Taiwan)

Author keywords

benzaldehyde phenylhydrazone; density functional theory; static first hyperpolarizability

Indexed keywords

B3LYP FUNCTIONALS; B3LYP/6-31G; BASIS SET EFFECTS; BASIS SETS; COMPUTATIONAL STUDIES; DENSITY FUNCTIONALS; DONOR-ACCEPTORS; FIRST HYPERPOLARIZABILITIES; FUNCTIONALS; HYBRID FUNCTIONALS; HYPER-POLARIZABILITY; NATURAL BONDING ORBITALS; PHENYLHYDRAZONES; SUBSTITUENT EFFECT; TYPE II; ZWITTERION STRUCTURES;

ALDEHYDES; CAMS;

DENSITY FUNCTIONAL THEORY;

EID: 79251531641     PISSN: 01928651     EISSN: 1096987X     Source Type: Journal    
DOI: 10.1002/jcc.21667     Document Type: Article

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