The solvent effect on the electronic nature of 1,3-dipoles: an ab initio SCRF study
β Scribed by Steinke, Thomas; Haensele, Elke; Clark, Timothy
- Book ID
- 126305680
- Publisher
- American Chemical Society
- Year
- 1989
- Tongue
- English
- Weight
- 418 KB
- Volume
- 111
- Category
- Article
- ISSN
- 0002-7863
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π SIMILAR VOLUMES
A theoretical study of the changes in the charge distribution of a series of small cations due to the polarization effect of water is presented. The results, which are obtained from high-level ab initio self-consistent reaction field calculations, show the complexity of the solvent effect on the ele
1 loo1 2d Fig. . Dependence of the differences in the enthalpy of formation AAH: " (AHScF@y~li~) -AHfCF(acyclic)) on the substituents of the pyrazolyl groups of boranes 2a-d. and thermodynamic stability of species 4 relative to the corresponding acyclic structure ( 3 / 3 ) upon further increase in t