At the core of many important energy conversion processes in chemistry and biology are
oxidation-reduction reactions in which both electrons and protons are transferred. An …

The booming field of molecular electronics has fostered a surge of computational research
on electronic properties of organic molecular solids. In particular, with respect to a …

The distinct physical properties of hybrid organic–inorganic materials can lead to
unexpected nonequilibrium phenomena that are difficult to characterize due to the broad …

This is an overview of some of the important, challenging, and problematic issues in
contemporary electron transfer research. After a qualitative discussion of electron transfer, its …

This article reviews the ring-polymer molecular dynamics model for condensed-phase
quantum dynamics. This model, which involves classical evolution in an extended ring …

1. INTRODUCTION AND OVERVIEW The transfer and transport of electrons through
biological matter is one of the key steps underlying cellular energy harvesting, storage, and …

Among the diverse and ever-expanding array of approaches to the electronic structure
problem, the rise of approximate density functional theory (DFT) as the method of choice for …

Enzymes play a key role in almost all biological processes, accelerating a variety of
metabolic reactions as well as controlling energy transduction, the transcription, and …

The dynamics of solvation in polar liquids - ScienceDirect Skip to main contentSkip to article
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It is well known that the solvent plays a critical role in ultrafast electron-transfer reactions.
However, solvent reorganization occurs on multiple length scales, and selectively …