Ab initio study of torsional potentials in 2,2'-bithiophene and 3,4'- and 3,3'-dimethyl-2,2'-bithiophene as models of the backbone flexibility in polythiophene and poly(3-methylthiophene) by V. Hernandez; J. T. Lopez Navarrete

Ab initio study of torsional potentials in 2,2'-bithiophene and 3,4'- and 3,3'-dimethyl-2,2'-bithiophene as models of the backbone flexibility in polythiophene and poly(3-methylthiophene) by V. Hernandez; J. T. Lopez Navarrete

Author:V. Hernandez; J. T. Lopez Navarrete
Format: pdf
Tags: AB INITIO CALCULATIONS; MOLECULAR ORBITAL METHOD; GAS PHASE; POTENTIAL BARRIER; REORIENTATION; THIOPHENE; GROUND STATES; GEOMETRY; OPTIMIZATION; HARTREE-FOCK METHOD; TORSION; METHYL COMPOUNDS
Published: 1999-09-18T22:50:19+00:00


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