A Theory that Connects Proton-Coupled Electron-Transfer and Hydrogen-Atom Transfer Reactions von Cukier, R. I

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Theory and simulation of proton-coupled electron transfer, hydrogen-atom transfer, and proton translocation in proteins von Cukier, R.I.

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Solvation of Excess Electrons in LiF Ionic Pair Matrix:  Evidence for a Solvated Dielectron from Ab Initio Molecular Dynamics Simulations and Calculations von Zhang, Liang, Yan, Shihai, Cukier, R. I, Bu, Yuxiang

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A molecular dynamics study of water chain formation in the proton-conducting K channel of cytochrome c oxidase von Cukier, R.I.

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Quantum molecular dynamics simulation of proton transfer in cytochrome c oxidase von Cukier, R.I

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A Theory for the Rate Constant of a Dissociative Proton-Coupled Electron-Transfer Reaction von Cukier, R. I

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A targeted reweighting method for accelerating the exploration of high-dimensional configuration space von Cukier, R I, Morillo, M

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Proton-Coupled Electron Transfer Reactions:  Evaluation of Rate Constants von Cukier, R. I

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Proton-coupled electron transfer von Cukier, R I, Nocera, D G

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Molecular Dynamics Simulations of Prostaglandin Endoperoxide H Synthase-1. Role of Water and the Mechanism of Compound I Formation from Hydrogen Peroxide von Cukier, R. I, Seibold, S. A

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Mechanism for Proton-Coupled Electron-Transfer Reactions von Cukier, R. I

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Water Chain Formation and Possible Proton Pumping Routes in Rhodobacter sphaeroides Cytochrome c Oxidase:  A Molecular Dynamics Comparison of the Wild Type and R481K Mutant von Seibold, Steve A, Mills, Denise A, Ferguson-Miller, Shelagh, Cukier, Robert I

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Control of proton-transfer reactions with external fields von MORILLO, M, CUKIER, R. I

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On the effects of solvent and intermolecular fluctuations in proton transfer reactions von MORILLO, M, CUKIER, R. I

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A mean-field theory of a localized excess electron in a polar fluid von JIANJUN ZHU, CUKIER, R. I

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Solvent effects on proton-transfer reactions von CUKIER, R. I, MORILLO, M

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A temperature-dependent Hartree approach for excess proton transport in hydrogen-bonded chains von Cukier, R.I.

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The transition from nonadiabatic to solvent controlled adiabatic electron transfer kinetics: the role of quantum and solvent dynamics von MORILLO, M, CUKIER, R. I

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Can the independent binary collision theory describe the nonlinear solvent density dependence of the vibrational energy relaxation rate ? von DARDI, P. S, CUKIER, R. I

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Proton-Coupled Electron Transfer through an Asymmetric Hydrogen-Bonded Interface von Cukier, R. I

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