We present an efficient mathematical framework to determine the potential-dependent transition states of electron transfer reactions by quantum calculations. This approach makes it more feasible to study heterogeneous electron transfer processes with the theory of local reaction center for electron transfer. It is shown that the new formulation regenerates previously published results obtained ...

This article shows that, although Boys localization is usually applied to single-electron orbitals, the Boys method itself can be applied to many electron molecular states. For the two-state charge-transfer problem, we show analytically that Boys localization yields the same charge-localized diabatic states as those found by generalized Mulliken-Hush theory. We suggest that for future work in e...

We investigated the transmission probability of a single electron transmission through a quantum ring device based on the single-band effective mass approximation method and transfer matrix theory. The time-dependent Schrödinger equation is applied on a Gaussian wave packet passing through the quantum ring system. The electron tunneling resonance peaks split when the electron transmits through ...

We present experiments on a superconductor-normal-metal electron refrigerator in a regime where single-electron charging effects are significant. The system functions as a heat transistor; i.e., the heat flux out from the normal-metal island can be controlled with a gate voltage. A theoretical model developed within the framework of single-electron tunneling provides a full quantitative agreeme...

In this review, we discuss the factors that influence electron transfer in peptides. We summarize experimental results from solution and surface studies and highlight the ongoing debate on the mechanistic aspects of this fundamental reaction. Here, we provide a balanced approach that remains unbiased and does not favor one mechanistic view over another. Support for a putative hopping mechanism ...

Electron-transfer (ET) reactions are key steps in a diverse array of biological transformations ranging from photosynthesis to aerobic respiration. A powerful theoretical formalism has been developed that describes ET rates in terms of two parameters: the nuclear reorganization energy (lambda) and the electronic-coupling strength (HAB). Studies of ET reactions in ruthenium-modified proteins hav...

In most of the oxidation—reduction reactions involving net electron transfer which have been studied, the experimental results yield only second order rates, and thus reflect the barrier to bringing reactants together as well as that for the electron transfer act itself. Recent advances in synthetic procedures make it possible to measure as an intramolecular or first order process, net electron...