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
β¦ LIBER β¦
Mechanisms of Hydrocarbon Conversion in Zeolites: A Quantum Mechanical Study
β Scribed by A.M. Rigby; G.J. Kramer; R.A. van Santen
- Publisher
- Elsevier Science
- Year
- 1997
- Tongue
- English
- Weight
- 234 KB
- Volume
- 170
- Category
- Article
- ISSN
- 0021-9517
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