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Generalizing the Marcus equation


Generalizing the Marcus equation | The Journal of Chemical Physics

The Marcus equation predicts that ket will be maximal if ΔGo = −λ and will decrease if the reaction becomes either strongly endergonic or ...

Generalizing the Marcus equation - PubMed

The Marcus equation for the rate of an electron-transfer reaction can be generalized to cover larger electronic-interaction matrix elements, ...

Generalization of the Marcus equation for the electron-transfer rate

Generalization of the Marcus equation for the electron-transfer rate. Click to copy article linkArticle link copied! · The Journal of Physical ...

Generalizing the Marcus equation | Request PDF - ResearchGate

Request PDF | Generalizing the Marcus equation | The Marcus equation for the rate of an electron-transfer reaction can be generalized to cover larger ...

Marcus theory - Wikipedia

In theoretical chemistry, Marcus theory is a theory originally developed by Rudolph A. Marcus, starting in 1956, to explain the rates of electron transfer ...

Generalization of the Marcus equation for the electron-transfer rate

of the dielectric continuum model. In thepresent paper, we generalize the Marcus theory and derive a new general expression for the electron-transfer rate,.

Generalised Marcus theory for multi-molecular delocalised charge ...

We generalise Marcus theory by considering an aggregate of ND donor molecules and an aggregate of NA acceptor molecules, with each molecule coupled to an ...

Generalised Marcus theory for multi-molecular delocalised charge ...

We generalise Marcus theory by considering an aggregate of ND donor molecules and an aggregate of NA acceptor molecules, with each molecule ...

The model system for generalised Marcus theory ... - ResearchGate

Download scientific diagram | The model system for generalised Marcus theory. The model describes charge transfer between two delocalised aggregates if the ...

Microscopic reversibility of the rate constants given by the ...

The microscopic reversibility of the rate constants given by the generalized Marcus equation which was recently presented by Tachiya has ...

Generalizing The Marcus Equation - 国际科技信息中心门户网站

The Marcus equation for the rate of an electron-transfer reaction can be generalized to cover larger electronic-interaction matrix elements, ...

Computing Charge Transfer Rate Based on Marcus Theory Using ...

calc_J -p_1 1mer_1.pun -orb_ty_1 LUMO -p_2 1mer_2.pun -orb_ty_2 LUMO -p_P 2mer.pun. The effective (or generalized) charge transfer integral ...

15.5: Marcus Theory for Electron Transfer - Chemistry LibreTexts

15.5: Marcus Theory for Electron Transfer ... The displaced harmonic oscillator (DHO) formalism and the Energy Gap Hamiltonian have been used ...

1 Electron Transfer Theories - Wiley-VCH

A microscopic theory for the rate of nonadiabatic electron transfer, including generalizations of the Marcus nonequilibrium free energy surfaces for the ...

On the theory of charge transport and entropic effects in solvated ...

Recently, however, a relatively simple theory (which we shall refer to as the generalized theory) unifying the Marcus and Lan- dauer descriptions of charge ...

Electron Tunneling Barriers in Marcus Theory of Electron Transfer

Here, we examine the previously proposed three-state extended Marcus model (EMM) and generalize it to an (N+2)-state model for N bridge sites separating ...

Introduction to Marcus Theory of Electron Transfer Reactions

This book, with a foreword from Nobel Laureate Rudolph A Marcus, aims at introducing the reader to the Marcus theory of electron transfer reactions.

Marcus Theory of Ion-Pairing - Pacific Northwest National Laboratory

Herein, we present a new theory in analogy with the Marcus theory of electron transfer14,15 to unravel a generalized principle of ion-pair ...

Microscopic reversibility of the rate constants given by the ...

Recently the Marcus equation for electron transfer rates was generalized by Tachiya [1]. The new expression is quite useful since the rate ...

Marcus Theory of Electron Transfer 2 - Wolfram Cloud

This Demonstration displays a three-dimensional representation of the semiclassical Marcus model, also called the Marcus–Levich–Jortner theory. The starting ...