Proton-coupled electron transfer reactions: analytical rate constants and case study of kinetic isotope effects in lipoxygenase

Proton Quantization and Vibrational Relaxation in Nonadiabatic Dynamics of Photoinduced Proton-Coupled Electron Transfer in a Solvated Phenol-Amine Complex

(2016) Puja Goyal et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Nonadiabatic rate constants for proton transfer and proton-coupled electron transfer reactions in solution: Effects of quadratic term in the vibronic coupling expansion

(2015) Alexander V. Soudackov et al.   JOURNAL OF CHEMICAL PHYSICS

Deep proton tunneling in the electronically adiabatic and non-adiabatic limits: Comparison of the quantum and classical treatment of donor-acceptor motion in a protein environment

(2015) Abdelkrim Benabbas et al.   JOURNAL OF CHEMICAL PHYSICS

Nonadiabatic Dynamics of Photoinduced Proton-Coupled Electron Transfer in a Solvated Phenol–Amine Complex

(2015) Puja Goyal et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Role of Solvent Dynamics in Photoinduced Proton-Coupled Electron Transfer in a Phenol–Amine Complex in Solution

(2015) Puja Goyal et al.   Journal of Physical Chemistry Letters

Proton-Coupled Electron Transfer: Moving Together and Charging Forward

(2015) Sharon Hammes-Schiffer   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Probing Nonadiabaticity in the Proton-Coupled Electron Transfer Reaction Catalyzed by Soybean Lipoxygenase

(2014) Alexander V. Soudackov et al.   Journal of Physical Chemistry Letters

Extremely Elevated Room-Temperature Kinetic Isotope Effects Quantify the Critical Role of Barrier Width in Enzymatic C–H Activation

(2014) Shenshen Hu et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Hydrogen Tunneling in Enzymes and Biomimetic Models

(2013) Joshua P. Layfield et al.   CHEMICAL REVIEWS

Direct simulation of proton-coupled electron transfer across multiple regimes

(2013) Joshua S. Kretchmer et al.   JOURNAL OF CHEMICAL PHYSICS

Proton-Coupled Electron Transfer

(2012) David R. Weinberg et al.   CHEMICAL REVIEWS

Proton-coupled electron transfer: classification scheme and guide to theoretical methods

(2012) Sharon Hammes-Schiffer   Energy & Environmental Science

Taking Ockham's razor to enzyme dynamics and catalysis

(2012) David R. Glowacki et al.   Nature Chemistry

Insights into proton-coupled electron transfer mechanisms of electrocatalytic H2 oxidation and production

(2012) S. Horvath et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Diabatization Schemes for Generating Charge-Localized Electron–Proton Vibronic States in Proton-Coupled Electron Transfer Systems

(2011) Andrew Sirjoosingh et al.   Journal of Chemical Theory and Computation

Proton-Coupled Electron Transfer versus Hydrogen Atom Transfer: Generation of Charge-Localized Diabatic States

(2011) Andrew Sirjoosingh et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Theoretical Analysis of Proton Relays in Electrochemical Proton-Coupled Electron Transfer

(2011) Benjamin Auer et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Thermochemistry of Proton-Coupled Electron Transfer Reagents and its Implications

(2010) Jeffrey J. Warren et al.   CHEMICAL REVIEWS

Theory of Coupled Electron and Proton Transfer Reactions

(2010) Sharon Hammes-Schiffer et al.   CHEMICAL REVIEWS

Impact of Distal Mutation on Hydrogen Transfer Interface and Substrate Conformation in Soybean Lipoxygenase

(2010) Sarah J. Edwards et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Tunneling in enzymatic and nonenzymatic hydrogen transfer reactions

(2010) Donald G. Truhlar   JOURNAL OF PHYSICAL ORGANIC CHEMISTRY

Analysis of Kinetic Isotope Effects for Proton-Coupled Electron Transfer Reactions†

(2009) Sarah J. Edwards et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Proton-Coupled Electron Transfer in Solution, Proteins, and Electrochemistry†

(2008) Sharon Hammes-Schiffer et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Enzyme structure and dynamics affect hydrogen tunneling: The impact of a remote side chain (I553) in soybean lipoxygenase-1

(2008) M. P. Meyer et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Theoretical studies of proton-coupled electron transfer: Models and concepts relevant to bioenergetics

(2007) S HAMMESSCHIFFER et al.   COORDINATION CHEMISTRY REVIEWS

Simulation of Tunneling in Enzyme Catalysis by Combining a Biased Propagation Approach and the Quantum Classical Path Method:  Application to Lipoxygenase†

(2007) Janez Mavri et al.   JOURNAL OF PHYSICAL CHEMISTRY B