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A method for calculating the Gibbs energy of nonspecific solvation

✍ Scribed by I. A. Sedov; B. N. Solomonov

Book ID
110184069
Publisher
International Academic Publishing Co (Nauka/Interperiodica)
Year
2008
Tongue
English
Weight
147 KB
Volume
82
Category
Article
ISSN
0036-0244

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✍ Purisima, Enrico O. πŸ“‚ Article πŸ“… 1998 πŸ› John Wiley and Sons 🌐 English βš– 217 KB πŸ‘ 2 views

We present a boundary element method BEM for calculating the reaction field energy of a macromolecule embedded in a high-dielectric medium such as water. In a BEM calculation, the key computational task is the calculation of the induced surface charge distribution at the dielectric boundary. This is