The results of systematic studies, using the CNDO/2-force model of Pulay and Torok, are presented for different methanol-water associations. The influence of the environment on the rotational harrier is discussed in detail. Molecular geometries, charge distributions and hvdration energies are also
Solvent Effect on Optical Rotation: A Case Study of Methyloxirane in Water
✍ Scribed by Parag Mukhopadhyay; Gérard Zuber; Michael-Rock Goldsmith; Peter Wipf; David N. Beratan
- Publisher
- John Wiley and Sons
- Year
- 2006
- Tongue
- English
- Weight
- 126 KB
- Volume
- 7
- Category
- Article
- ISSN
- 1439-4235
No coin nor oath required. For personal study only.
📜 SIMILAR VOLUMES
The effect of solvent on the barrier to mlemal rotation of formamide has been studied using an ab inr110 4.31G method coupled with a polarizable Continuum model. The trend of inc~easmg rotatron barrier with mneasing solvent dielectric canstant is reproduced. Co~ofmational free energies were calculat
## Abstract The kinetics of the reaction of benzyl bromide with thiourea was studied in different pure (protic and aprotic) solvents and the rate data was correlated using linear multiple regression analysis. From the regression coefficients which describe the susceptibility of rate to different so