A Theoretical Study of Substitution Effects in Unimolecular Rectifiers
✍ Scribed by Robert Stadler; Victor Geskin; Jérôme Cornil
- Publisher
- John Wiley and Sons
- Year
- 2008
- Tongue
- English
- Weight
- 562 KB
- Volume
- 18
- Category
- Article
- ISSN
- 1616-301X
No coin nor oath required. For personal study only.
📜 SIMILAR VOLUMES
## Abstract Theoretical studies on the gas phase elimination of 2‐substituted alkyl ethyl methylcarbonates were performed at the B3LYP/6‐31G\* and B3LYP/6‐31+__G__\*\* level of theory. The results of these calculations provide additional evidence that the mechanism of carbonates with a C~β~H bond
## Abstract The kinetic energy relased on the loss of a CH~3~ ⋅ radical from __para__ substituted anisoles appears to depend on the nature of the substituent. The application of the dual parameter equation of Yukawa and Tsuno yields a linear correlation with the __T__~0.5~‐values. The mesomeric eff
## Abstract The Doppler effects for the reflected wave from moving media are systemically analyzed in this paper. The theoretical formula for the Doppler shift in left‐handed material, which is described by Drude's dispersion model, is presented. This formula is examined by first‐principles numeric