The effect of solvent on the electron transfer (ET) and spectral shifts has been the focus of
experimental and theoretical studies and a key quantity in these studies is the solvent …

This review on continuum solvation models has been preceded in Chemical Reviews by
others addressing the same subject. They are due to Tomasi and Persico1 (published in …

We present an overview of the current status of the theories of nonequilibrium solvation and
their generalizations in modern chemistry. Based on the continuous medium theory, the …

This book covers the theory and applications of continuum solvation models. The main focus
is on the quantum-mechanical version of these models, but classical approaches and …

Nowadays, accompanying the development of computational methods and the progress in
computer science, solvent effect calculations at different levels have attracted much …

Considering the influences of electrostatic potential Φ upon the change of solute charge
distribution δρ and ρ upon the change δΦ at the same time, a more reasonable integral …

This work presents a self-consistent thermodynamic approach to nonequilibrium solvation
energy. By imposing an extra electric field onto the nonequilibrium solvation system, a …

In this work, the solvent reorganization energy is formulated within the framework of classical
thermodynamics, by adding some external charges to construct a constrained equilibrium …

With the recent occurrence of the 30 th anniversary of the first quantum mechanical
continuum solvent code (Rinaldi D, Rivail JL (1973) Theor Chim Acta 32: 57), it seems like …

In this work the authors present some evidences of defects in the popular continuous
medium theories for nonequilibrium solvation. Particular attention has been paid to the …