Nonlocal continuum solvation model with exponential susceptibility kernels
نویسندگان
چکیده
منابع مشابه
Nonlocal continuum solvation model with exponential susceptibility kernels
An algorithm is developed for performing calculations for the nonlocal electrostatic solvation theory of an ion in a cavity, accounting for electrostatic boundary conditions. The latter implies an induced charge distribution on the cavity surface as well as an induced volume charge distribution in the medium. This approach is validated by a variational derivation which also provides a general e...
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ژورنال
عنوان ژورنال: The Journal of Chemical Physics
سال: 1998
ISSN: 0021-9606,1089-7690
DOI: 10.1063/1.476357