My Papers in Computational Chemistry


The following papers result from my work under the supervision of Dr. Alex Rashin on continuum-based models of hydration and their applications, and, in particular, on computational methods of constructing the water accessible Richards-Connolly molecular surface.

Alexander A. Rashin, Michael A. Bukatin. A View of Thermodynamics of Hydration Emerging from Continuum Studies. Biophysical Chemistry, 51 (1994) 167-192.

A.A. Rashin, M.A. Bukatin, J. Andzelm, A.T. Hagler. Incorporation of Reaction Field Effects into Density Functional Calculations for Molecules of Arbitrary Shape in Solution. Biophysical Chemistry, 51 (1994) 375-392. ResearchGate copy

Alexander A. Rashin, Michael A. Bukatin. Magnitude of Hydration Entropies of Nonpolar and Polar Molecules. The Journal of Physical Chemistry, 98 (1994) 386-389.

Alexander A. Rashin, Michael A. Bukatin. Calculations of Hydration Entropies of Alkali and Halide Ions Based on the Continuum Approach. The Journal of Physical Chemistry, 97 (1993) 1974-1979.

Alexander A. Rashin, Michael A. Bukatin. Continuum-Based Calculations of Hydration Entropies and the Hydrophobic Effect. The Journal of Physical Chemistry, 95 (1991) 2942-2944.


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