Theoretical conformational study of poly(trans-1, 2-Di(2-thienyl) ethylene): Effects on the electronic structure and optical properties

International Journal of Quantum Chemistry

Volumn 106, Issue 13, 2006, Pages 2723-2730

  Marçal, Nei ^a   Laks, Bernardo ^a   Barbosa Dos Santos, Ricardo Paupitz ^a  

^a UNIVERSITY OF CAMPINAS   (Brazil)

Author keywords

Conformational structure; Electronic structure; Optical absorption spectra; Semiempirical models

Indexed keywords

ABSORPTION SPECTROSCOPY; CONFORMATIONS; CORRELATION THEORY; ELECTRONIC PROPERTIES; ELECTRONIC STRUCTURE; HAMILTONIANS; OPTIMIZATION;

CONFORMATIONAL STRUCTURE; GEOMETRICAL OPTIMIZATIONS; OPTICAL ABSORPTION SPECTRA; SEMIEMPIRICAL MODELS;

POLYETHYLENES;

EID: 33749163360     PISSN: 00207608     EISSN: 1097461X     Source Type: Journal    
DOI: 10.1002/qua.21131     Document Type: Conference Paper

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