We describe a force field extending Boyd and Kesner's molecule mechanics treatment of alkyl chlorides, fluorides and bromides to alkyl iodides: accordingly, as well as parameters for the potential energy of bond stretching and bending and β¬or interactions between nonbonded atoms, the field includes
β¦ LIBER β¦
Ab initioparameterization of YFF1, a universal force field for drug-design applications
β Scribed by Olexandr Ya Yakovenko; Yvonne Y. Li; Alexander A. Oliferenko; Ganna M. Vashchenko; Volodymyr G. Bdzhola; Steven J. M. Jones
- Book ID
- 106240613
- Publisher
- Springer-Verlag
- Year
- 2011
- Tongue
- English
- Weight
- 400 KB
- Volume
- 18
- Category
- Article
- ISSN
- 1610-2940
No coin nor oath required. For personal study only.
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