49 citations · 514 across the 43 of their papers we have counts for
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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…
Reorganization energy of electron transfer at the solvent glass transition
Pradip K. Ghorai, Dmitry V. Matyushov
We present a molecular-dynamics study of the solvent reorganization energy of electron transfer in supercooled water. We observe a sharp decrease of the reorganization energy at a…
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…
Two-Gaussian excitations model for the glass transition
Dmitry V. Matyushov, C. A. Angell
We develop a modified "two-state" model with Gaussian widths for the site energies of both ground and excited states, consistent with expectations for a disordered system. The ther…
Equilibrium solvation in quadrupolar solvents
Anatoli A. Milischuk, Dmitry V. Matyushov
We present a microscopic theory of equilibrium solvation in solvents with zero dipole moment and non-zero quadrupole moment (quadrupolar solvents). The theory is formulated in term…
Paraelectric and ferroelectric order in two-state dipolar fluids
Dmitry V. Matyushov, Andriy Okhrimovskyy
Monte Carlo simulations are used to examine cooperative creation of polar state in fluids of two-state particles with nonzero dipole in the excited state. With lowering temperature…