Solvation free energies of non-polar and polar solutes reproduced by a combination of extended scaled particle theory and the Poisson-Boltzmann equation

By Irisa Masayuki   Takahashi Takuya   Nagayama Kuniaki   Hirata Fumio  

Molecular Physics, Vol. 85, Iss. 6, 1995-08 ,pp. : 1227-1238

Taylor & Francis Ltd

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Calculation of solvation energies: the self-consistent multipole moment reaction field method

By Lu T.-X.   Bacskay G. B.   Haymet A. D. J.  

Molecular Physics, Vol. 88, Iss. 1, 1996-05 ,pp. : 173-185

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A direct implementation of the second-order derivatives of multiconfigurational SCF energies and an analysis of the preconditioning in the associated response equation

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Molecular Physics, Vol. 96, Iss. 4, 1999-02 ,pp. : 617-628

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Applications of Integral Equation Calculations to High-Temperature Solvation Phenomena

By Chialvo A.A.   Kusalik P.G.   Kalyuzhnyi Y.V.   Cummings P.T.  

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A numerical solution to the integral equation for atomic pair energies

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