Theoretical study of the structure and electronic spectra of fully protonated emeraldine oligomers

International Journal of Quantum Chemistry

Volumn 107, Issue 8, 2007, Pages 1688-1706

  Zhekova, H ^a   Tadjer, A ^a   Ivanova, A ^a   Petrova, J ^a   Gospodinova, N ^b,c  

^a UNIVERSITY OF SOFIA   (Bulgaria)

^b Ecole Nationale Superieure de Chimie de Mulhouse   (France)

^c INSTITUT DE CHIMIE DES SURFACES ET INTERFACES   (France)

Author keywords

Emeraldine salt; Hydration; Molecular mechanics simulations; Polyaniline; Semi empirical calculations; Stacking; UV VIS NIR electron spectra

Indexed keywords

COMPUTER SIMULATION; ELECTRONIC STRUCTURE; HYDRATION; MOLECULAR MECHANICS; MONTE CARLO METHODS; POLYANILINE; SALTS;

EMERALDINE SALT; SEMI EMPIRICAL CALCULATIONS; STACKING;

OLIGOMERS;

EID: 34248160077     PISSN: 00207608     EISSN: 1097461X     Source Type: Journal    
DOI: 10.1002/qua.21241     Document Type: Conference Paper

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