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Effect of the boundary conditions in the Monte Carlo method on energy and structure characteristics of liquids. A calculation on aqueous solutions of methanol and benzene.

โœ Scribed by I.I. Sheykhet; B.Ya. Simkin; V.N. Levchuk


Publisher
Elsevier Science
Year
1989
Tongue
English
Weight
733 KB
Volume
40
Category
Article
ISSN
0167-7322

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## Abstract The Poissonโ€“Boltzmann equation is widely used to describe the electrostatic potential of molecules in an ionic solution that is treated as a continuous dielectric medium. The linearized form of this equation, applicable to many biologic macromolecules, may be solved using the boundary e