Geometric and electronic structure of zwitterionic push-pull polyenes for nonlinear optics

International Journal of Quantum Chemistry

Volumn 91, Issue 3 SPEC, 2003, Pages 303-310

  Geskin, V M ^a   Bredas, J L ^a,b  

^a UNIVERSITY OF MONS   (Belgium)

^b UNIVERSITY OF ARIZONA   (United States)

Author keywords

AM1; Hybrid DFT; MP2; Push pull polyene; Zwitterionic

Indexed keywords

AMMONIUM COMPOUNDS; COMPUTATIONAL METHODS; ELECTRONIC STRUCTURE; ELECTRONS; MOLECULES; NONLINEAR OPTICS; PROBABILITY DENSITY FUNCTION;

AB INITIO HARTREE FOCK METHOD; AMMONIUM SUBSTITUENTS; BORATE SUBSTITUENTS; HYBRID DENSITY FUNCTIONAL THEORY; MOLLER PLESSET SECOND ORDER METHOD; ZWITTERIONIC PUSH PULL POLYENES;

ORGANIC POLYMERS;

EID: 0037455049     PISSN: 00207608     EISSN: None     Source Type: Journal    
DOI: 10.1002/qua.10393     Document Type: Article

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