The reaction field factors appear in the generalization of the Kirkwood model of solvation for a molecule imbedded in a cavity surrounded by a dielectric continuum. A general algorithm is proposed to compute these factors for a distributed multipole analysis of the charge distribution of the solute.
β¦ LIBER β¦
Field distribution analysis in a multicell cavity: A new method for field equalization
β Scribed by P. Balleyguier
- Publisher
- Elsevier Science
- Year
- 1990
- Tongue
- English
- Weight
- 447 KB
- Volume
- 294
- Category
- Article
- ISSN
- 0168-9002
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