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A study of amino-protecting groups using the polarizable continuum model (PCM)

✍ Scribed by Clarissa O. da Silva; André Gustavo H. Barbosa; Emerson T. da Silva; Edson Luiz L. da Silva; Marco Antonio C. Nascimento


Book ID
105885636
Publisher
Springer
Year
2003
Tongue
English
Weight
442 KB
Volume
111
Category
Article
ISSN
1432-2234

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The effect of solvent on the internal ro
✍ Anthony J. Duben; Stanislav Miertuš 📂 Article 📅 1982 🏛 Elsevier Science 🌐 English ⚖ 343 KB

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