49 citations · 514 across the 43 of their papers we have counts for
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Effective dielectric constant of water at the interface with charged C fullerenes
Setare Mostajabi Sarhangi, Morteza M. Waskasi, Seyed Majid Hashemianzadeh +1
Dipolar susceptibility of interfacial water and the corresponding interface dielectric constant were calculated from numerical molecular dynamics simulations for neutral and charge…
Nonequilibrium vibrational population and donor-acceptor vibrations affecting rates of radiationless transitions
Dmitry V. Matyushov
An analytical theory is developed for radiationless transitions in molecules characterized by nonequilibrium populations of their vibrational modes. Several changes to the standard…
Electrode Reactions in Slowly Relaxing Media
Dmitry V. Matyushov, Marshall D. Newton
Standard models of reaction kinetics in condensed materials rely on the Boltzmann-Gibbs distribution for the population of reactants at the top of the free energy barrier separatin…
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…