2 papers
physics.chem-ph2005
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…
cond-mat.stat-mech2005
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…