A molecular mediator for reductive concerted proton-electron transfers via electrocatalysis

Electrochemical Oxidation of Organic Molecules at Lower Overpotential: Accessing Broader Functional Group Compatibility with Electron−Proton Transfer Mediators

(2020) Fei Wang et al.   ACCOUNTS OF CHEMICAL RESEARCH

Rate-Driving Force Relationships in the Multisite-PCET Activation of Ketones

(2019) Guanqi Qiu et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Scalable and safe synthetic organic electroreduction inspired by Li-ion battery chemistry

(2019) Byron K. Peters et al.   SCIENCE

Cp* Noninnocence Leads to a Remarkably Weak C–H Bond via Metallocene Protonation

(2019) Matthew J. Chalkley et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Experimental Evidence for pKa-Driven Asynchronicity in C–H Activation by a Terminal Co(III)–Oxo Complex

(2019) McKenna K. Goetz et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Roles of Iron Complexes in Catalytic Radical Alkene Cross-Coupling: A Computational and Mechanistic Study

(2019) Dongyoung Kim et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Fe-Mediated Nitrogen Fixation with a Metallocene Mediator: Exploring pKa Effects and Demonstrating Electrocatalysis

(2018) Matthew J. Chalkley et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Electroenzymatic C–C Bond Formation from CO2

(2018) Rong Cai et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Beyond the classical thermodynamic contributions to hydrogen atom abstraction reactivity

(2018) Daniel Bím et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Phosphine Oxidation with Water and Ferrocenium(III) Cation Induced by Visible‐Light Irradiation

(2018) Yoshiaki Tanabe et al.   CHEMISTRY-A EUROPEAN JOURNAL

Structural and Electrochemical Consequences of [Cp*] Ligand Protonation

(2017) Yun Peng et al.   INORGANIC CHEMISTRY

Spectroscopic and Reactivity Comparisons of a Pair of bTAML Complexes with FeV═O and FeIV═O Units

(2017) Santanu Pattanayak et al.   INORGANIC CHEMISTRY

Software update: the ORCA program system, version 4.0

(2017) Frank Neese   Wiley Interdisciplinary Reviews-Computational Molecular Science

Catalytic N2-to-NH3 Conversion by Fe at Lower Driving Force: A Proposed Role for Metallocene-Mediated PCET

(2017) Matthew J. Chalkley et al.   ACS Central Science

Electrochemical C−H/N−H Functionalization for the Synthesis of Highly Functionalized (Aza)indoles

(2016) Zhong-Wei Hou et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Simplest Monodentate Imidazole Stabilization of the oxy-Tyrosinase Cu2 O2 Core: Phenolate Hydroxylation through a CuIII Intermediate

(2016) Linus Chiang et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Thermodynamic Hydricity of Transition Metal Hydrides

(2016) Eric S. Wiedner et al.   CHEMICAL REVIEWS

Mn-, Fe-, and Co-Catalyzed Radical Hydrofunctionalizations of Olefins

(2016) Steven W. M. Crossley et al.   CHEMICAL REVIEWS

Porphyrin Analogues of a Trityl Cation and Anion

(2016) Kenichi Kato et al.   CHEMISTRY-A EUROPEAN JOURNAL

Proton-Coupled Electron Transfer in the Reduction of Carbonyls by Samarium Diiodide–Water Complexes

(2016) Tesia V. Chciuk et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Cooperative electrocatalytic alcohol oxidation with electron-proton-transfer mediators

(2016) Artavazd Badalyan et al.   NATURE

Scalable and sustainable electrochemical allylic C–H oxidation

(2016) Evan J. Horn et al.   NATURE

Proton-Coupled Electron Transfer in Organic Synthesis: Fundamentals, Applications, and Opportunities

(2016) David C. Miller et al.   Topics in Current Chemistry

Proton-Coupled Electron Transfer in the Reduction of Arenes by SmI2–Water Complexes

(2015) Tesia V. Chciuk et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

A practical guide to using boron doped diamond in electrochemical research

(2015) Julie V. Macpherson   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Crystal structure refinement withSHELXL

(2015) George M. Sheldrick   Acta Crystallographica Section C-Structural Chemistry

Electrochemical Reduction of Brønsted Acids by Glassy Carbon in Acetonitrile—Implications for Electrocatalytic Hydrogen Evolution

(2014) Brian D. McCarthy et al.   INORGANIC CHEMISTRY

Multielectron, Multistep Molecular Catalysis of Electrochemical Reactions: Benchmarking of Homogeneous Catalysts

(2014) Cyrille Costentin et al.   ChemElectroChem

Synthesis, Characterization, and Structures of a Persistent Aniline Radical Cation

(2012) Xiaoyu Chen et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Turnover Numbers, Turnover Frequencies, and Overpotential in Molecular Catalysis of Electrochemical Reactions. Cyclic Voltammetry and Preparative-Scale Electrolysis

(2012) Cyrille Costentin et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

The ORCA program system

(2011) Frank Neese   Wiley Interdisciplinary Reviews-Computational Molecular Science

Thermochemistry of Proton-Coupled Electron Transfer Reagents and its Implications

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

Organic electrosynthesis: a promising green methodology in organic chemistry

(2010) Bernardo A. Frontana-Uribe et al.   GREEN CHEMISTRY

A consistent and accurate ab initio parametrization of density functional dispersion correction (DFT-D) for the 94 elements H-Pu

(2010) Stefan Grimme et al.   JOURNAL OF CHEMICAL PHYSICS

OLEX2: a complete structure solution, refinement and analysis program

(2009) Oleg V. Dolomanov et al.   JOURNAL OF APPLIED CRYSTALLOGRAPHY

Universal Solvation Model Based on Solute Electron Density and on a Continuum Model of the Solvent Defined by the Bulk Dielectric Constant and Atomic Surface Tensions

(2009) Aleksandr V. Marenich et al.   JOURNAL OF PHYSICAL CHEMISTRY B

C−H Bond Cleavage with Reductants: Re-Investigating the Reactivity of Monomeric MnIII/IV−Oxo Complexes and the Role of Oxo Ligand Basicity

(2009) Trenton H. Parsell et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY