A computational method for the evaluation of dispersion and repulsion contributions to the solvation energy is here presented in a formulation which makes use of a continuous distribution of the solvent, without introducing additional assumptions (e.g., local isotropy in the solvent distribution). T
MNDO and AM1 estimation of the electrostatic, induction and dispersion contributions to the solvation energy by a continuum model
✍ Scribed by Enrique Sánchez Marcos; Maria J. Capitan; Manuel Galán; Rafael R. Pappaladro
- Book ID
- 113256994
- Publisher
- Elsevier Science
- Year
- 1990
- Tongue
- English
- Weight
- 394 KB
- Volume
- 210
- Category
- Article
- ISSN
- 0166-1280
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