Point charges derived from RHF/6-31G\* electrostatic potentials are attractive because they tend to exaggerate the polarity of solvated molecules, thereby compensating in an average fashion missing induction effects. In the context of free energy calculations, wherein the molecule is transferred fro
β¦ LIBER β¦
Maximum-Entropy Calculation of Free Energy Distributions for Two Forms of Myoglobin
β Scribed by Douglas Poland
- Book ID
- 110336396
- Publisher
- Springer
- Year
- 2002
- Tongue
- English
- Weight
- 81 KB
- Volume
- 21
- Category
- Article
- ISSN
- 1573-4943
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