## Abstract We report a systematic comparison of the dispersion and repulsion contributions to the free energy of solvation determined using quantum mechanical self‐consistent reaction field (QM‐SCRF) and classical methods. In particular, QM‐SCRF computations have been performed using the dispersio
Quantum Mechanical Continuum Solvation Models
✍ Scribed by Jacopo Tomasi; Benedetta Menucci; Roberto Cammi
- Publisher
- John Wiley and Sons
- Year
- 2005
- Weight
- 8 KB
- Volume
- 36
- Category
- Article
- ISSN
- 0931-7597
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✦ Synopsis
Abstract
For Abstract see ChemInform Abstract in Full Text.
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