Vibrational spectra and ab initio DFT calculations of 3,3′- And 4,4′-dimethyl substituted 2,2-bithiophene

Synthetic Metals

Volumn 101, Issue 1-3, 1999, Pages 590-591

  Hernandez V ^a   Casado, J ^a   Favaretto, L ^b   Distefano, G ^c   Lopez Navarrete J T ^a  

^a UNIVERSITY OF MÁLAGA   (Spain)

^b CNR   (Italy)

^c UNIVERSITY OF FERRARA   (Italy)

Author keywords

Ab initio quantum chemical methods and calculations; Infrared and Raman spectroscopy; Polythiophene and derivatives

Indexed keywords

COMPUTATIONAL METHODS; CORRELATION METHODS; DIMERS; FOURIER TRANSFORM INFRARED SPECTROSCOPY; MOLECULAR STRUCTURE; MOLECULAR VIBRATIONS; PROBABILITY DENSITY FUNCTION; SULFUR COMPOUNDS; CHEMICAL REACTIONS; COMPUTER SIMULATION; CONFORMATIONS; ELECTRONS; INFRARED SPECTROSCOPY; MOLECULES; OLEFINS; RAMAN SPECTROSCOPY;

DENSITY FUNCTIONAL THEORY (DFT); INTRAMOLECULAR DELOCALIZATIONS; MOLECULAR CONFORMATIONS; AB INITIO DENSITY FUNCTIONAL THEORY; EQUILIBRIUM MOLECULAR CONFORMATION; INTRAMOLECULAR DELOCALIZATION; METHYLATION; POLYTHIOPHENE AND DERIVATIVES; VIBRATIONAL SPECTRA;

CONDUCTIVE PLASTICS; DIMERS;

EID: 0345148888     PISSN: 03796779     EISSN: None     Source Type: Journal    
DOI: 10.1016/s0379-6779(98)01145-x     Document Type: Article

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