25 citations · 84 across the 13 of their papers we have counts for
3 papers · 1 filter
Electrostatic fluctuations in cavities within polar liquids and thermodynamics of polar solvation
Daniel R. Martin, Dmitry V. Matyushov
We present the results of numerical simulations of fluctuations of the electrostatic potential and electric field inside cavities created in the fluid of dipolar hard spheres. We f…
Theory of solvation in polar nematics
Vitaly Kapko, Dmitry V. Matyushov
We develop a linear response theory of solvation of ionic and dipolar solutes in anisotropic, axially symmetric polar solvents. The theory is applied to solvation in polar nematic…
Activation entropy of electron transfer reactions
Anatoli A. Milischuk, Dmitry V. Matyushov, Marshall D. Newton
We report microscopic calculations of free energies and entropies for intramolecular electron transfer reactions. The calculation algorithm combines the atomistic geometry and char…