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A quantum mechanical study of the mechanism of the enol-ketone tautomerism

✍ Scribed by G. Klopman; P. Andreozzi

Publisher
Wiley (John Wiley & Sons)
Year
2010
Weight
463 KB
Volume
88
Category
Article
ISSN
0037-9646

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The geometry and band-gap values of oligopyrroles of increasing chain Ε½ length were calculated using different semiempirical quantum-chemical methods AM1, . PM3, SAM1, INDOr1 CI . The oxidative doping results in large changes in the geometry and conductive properties of oligomers. The properties of