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Dielectric descreening

The electrostatic contribution (G/aq)) is modeled by the generalized Bom approximation [49] with atom-centered charges and with the effects of dielectric descreening by other parts of the solute calculated from a conformationally sensitive solute shape molecular model [50-53] based on overlapping atomic spheres. It leads to the following equation ... [Pg.175]

G. D. Hawkins, C. J. Cramer, and D. G. Truhlar, Parameterized models of aqueous free energies of solvation based on pairwise descreening of solute atomic charges from a dielectric medium, J. Phys. Chem. 100 19824 (1996) erratum to be published. [Pg.90]

Hawkins GD, Cramer CJ, Truhlar DG (1995) Pairwise solute descreening of solute charges from a dielectric medium. Chem Phys Lett 246 122-129... [Pg.111]

Solute Descreening of Solute Charges from a Dielectric Medium. [Pg.225]

See other pages where Dielectric descreening is mentioned: [Pg.81]    [Pg.81]    [Pg.482]    [Pg.482]    [Pg.176]    [Pg.1590]    [Pg.81]    [Pg.81]    [Pg.482]    [Pg.482]    [Pg.176]    [Pg.1590]    [Pg.81]    [Pg.222]    [Pg.27]    [Pg.402]    [Pg.98]    [Pg.81]    [Pg.222]   
See also in sourсe #XX -- [ Pg.81 ]

See also in sourсe #XX -- [ Pg.81 ]



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