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Proton-Coupled Electron Transfer in Artificial Photosynthetic Systems
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January 2018 |
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Accuracy of AH n equilibrium geometries by single determinant molecular orbital theory
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January 1974 |
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Model system-bath Hamiltonian and nonadiabatic rate constants for proton-coupled electron transfer at electrode-solution interfaces
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June 2008 |
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Extension of Gaussian-2 (G2) theory to molecules containing third-row atoms K and Ca
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October 1997 |
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The isomers of silacyclopropane
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November 1980 |
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Ru-bda: Unique Molecular Water-Oxidation Catalysts with Distortion Induced Open Site and Negatively Charged Ligands
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March 2019 |
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The Artificial Leaf
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January 2012 |
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Structures and Energetics for O 2 Formation in Photosystem II
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December 2009 |
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The development of molecular water oxidation catalysts
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April 2019 |
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Proton-Coupled Electron Transfer in Solution, Proteins, and Electrochemistry †
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November 2008 |
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Intramolecular Long-Distance Electron Transfer in Organic Molecules
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April 1988 |
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Kinetic Evidence That the Solvent Barrier for Electron Transfer Is Absent in the Electric Double Layer
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July 2020 |
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The influence of polarization functions on molecular orbital hydrogenation energies
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January 1973 |
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Proton-coupled electron transfer: a unifying mechanism for biological charge transport, amino acid radical initiation and propagation, and bond making/breaking reactions of water and oxygen
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April 2004 |
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Ab Initio Calculation of Vibrational Absorption and Circular Dichroism Spectra Using Density Functional Force Fields
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November 1994 |
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Proton-coupled energy transfer in molecular triads
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August 2022 |
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A Database for the Static Dielectric Constant of Water and Steam
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January 1995 |
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p K a Values in the Undergraduate Curriculum: What Is the Real p K a of Water?
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April 2017 |
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Photoinduced Interfacial Electron Transfer within a Mesoporous Transparent Conducting Oxide Film
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January 2014 |
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Mechanisms of Surface Electron Transfer. Proton-Coupled Electron Transfer
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December 1998 |
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Reorganization energies in benzene, naphthalene, and anthracene
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November 1994 |
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Density‐functional thermochemistry. III. The role of exact exchange
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April 1993 |
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Electron Transfer Reorganization Energies in the Electrode–Electrolyte Double Layer
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December 2019 |
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Electrochemical Electron Transfer and Proton-Coupled Electron Transfer: Effects of Double Layer and Ionic Environment on Solvent Reorganization Energies
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May 2016 |
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Concerted hydrogen-atom abstraction in photosynthetic water oxidation
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January 2000 |
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Oxygen Production in Nature: A Light-Driven Metalloradical Enzyme Process
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January 1998 |
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Highly Efficient Bioinspired Molecular Ru Water Oxidation Catalysts with Negatively Charged Backbone Ligands
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June 2015 |
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Theory of Coupled Electron and Proton Transfer Reactions
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December 2010 |
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Concerted proton-electron transfer reactions in the Marcus inverted region
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April 2019 |
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Electrochemical Solvent Reorganization Energies in the Framework of the Polarizable Continuum Model
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April 2014 |
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One Site is Enough. Catalytic Water Oxidation by [Ru(tpy)(bpm)(OH 2 )] 2+ and [Ru(tpy)(bpz)(OH 2 )] 2+
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December 2008 |
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Catalytic oxidation of water by an oxo-bridged ruthenium dimer
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July 1982 |
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On the Theory of Electron‐Transfer Reactions. VI. Unified Treatment for Homogeneous and Electrode Reactions
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July 1965 |
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From Ru-bda to Ru-bds: a step forward to highly efficient molecular water oxidation electrocatalysts under acidic and neutral conditions
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January 2021 |
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Theoretical Analysis of Proton Relays in Electrochemical Proton-Coupled Electron Transfer
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June 2011 |
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Synthesis of Phosphonic Acid Derivatized Bipyridine Ligands and Their Ruthenium Complexes
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October 2013 |
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Compact contracted basis sets for third-row atoms: Ga-Kr
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November 1990 |
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Biomimetic Reactivity of Oxygen-Derived Manganese and Iron Porphyrinoid Complexes
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October 2017 |
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Software for the frontiers of quantum chemistry: An overview of developments in the Q-Chem 5 package
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August 2021 |
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Recent advances in bioinspired proton-coupled electron transfer
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January 2019 |
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Turning on the red phosphorescence of a [Ru(tpy)(bpy)(Cl)]Cl complex by amide substitution: self-aggregation, toxicity, and cellular localization of an emissive ruthenium-based amphiphile
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January 2017 |
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Quantum mechanics/molecular mechanics structural models of the oxygen-evolving complex of photosystem II
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April 2007 |
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Mechanisms for proton release during water oxidation in the S2 to S3 and S3 to S4 transitions in photosystem II
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January 2012 |
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Proton coupled electron transfer and redox active tyrosines in Photosystem II
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July 2011 |
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The O 2 -Evolving Complex of Photosystem II: Recent Insights from Quantum Mechanics/Molecular Mechanics (QM/MM), Extended X-ray Absorption Fine Structure (EXAFS), and Femtosecond X-ray Crystallography Data
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December 2016 |
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Determination of Proton-Coupled Electron Transfer Reorganization Energies with Application to Water Oxidation Catalysts
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June 2019 |
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Self‐consistent molecular orbital methods. XXIII. A polarization‐type basis set for second‐row elements
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October 1982 |
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Solvent influence on non-adiabatic interfacial electron transfer at conductive oxide electrolyte interfaces
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October 2020 |
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Free Energy Dependencies for Interfacial Electron Transfer from Tin-Doped Indium Oxide (ITO) to Molecular Photoredox Catalysts
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February 2022 |
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Synthesis, Characterization and Catalytic Activities of Palladium(II) Nitroaryl Complexes
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August 2016 |
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Proton-coupled electron transfer across benzimidazole bridges in bioinspired proton wires
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January 2020 |
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The role of proton coupled electron transfer in water oxidation
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January 2012 |
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Theoretical Formulation of Nonadiabatic Electrochemical Proton-Coupled Electron Transfer at Metal−Solution Interfaces
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July 2008 |
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Ab initio effective core potentials for molecular calculations. Potentials for main group elements Na to Bi
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January 1985 |
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Redox and spectral properties of monooxo polypyridyl complexes of ruthenium and osmium in aqueous media
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June 1984 |
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Derivation of rate expressions for nonadiabatic proton-coupled electron transfer reactions in solution
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August 2000 |
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Ab initio effective core potentials for molecular calculations. Potentials for the transition metal atoms Sc to Hg
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January 1985 |
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The visible-light-driven transfer hydrogenation of nicotinamide cofactors with a robust ruthenium complex photocatalyst
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January 2020 |
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Switching the Redox Mechanism: Models for Proton-Coupled Electron Transfer from Tyrosine and Tryptophan
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March 2005 |
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Proton-Coupled Electron Transfer Guidelines, Fair and Square
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January 2021 |
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Self—Consistent Molecular Orbital Methods. XII. Further Extensions of Gaussian—Type Basis Sets for Use in Molecular Orbital Studies of Organic Molecules
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March 1972 |
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Theoretical Analysis of the Sequential Proton-Coupled Electron Transfer Mechanisms for H 2 Oxidation and Production Pathways Catalyzed by Nickel Molecular Electrocatalysts
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January 2012 |
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Application of Degenerately Doped Metal Oxides in the Study of Photoinduced Interfacial Electron Transfer
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December 2014 |
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6-31G * basis set for atoms K through Zn
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July 1998 |
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Concerted and Stepwise Proton-Coupled Electron Transfer for Tryptophan-Derivative Oxidation with Water as the Primary Proton Acceptor: Clarifying a Controversy
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April 2022 |
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Multistate continuum theory for multiple charge transfer reactions in solution
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September 1999 |
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Self‐Consistent Molecular‐Orbital Methods. IX. An Extended Gaussian‐Type Basis for Molecular‐Orbital Studies of Organic Molecules
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January 1971 |
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Proton-Coupled Electron Transfer from Tyrosine in a Tyrosine−Ruthenium−tris-Bipyridine Complex: Comparison with Tyrosine Z Oxidation in Photosystem II
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April 2000 |
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Ab initio effective core potentials for molecular calculations. Potentials for K to Au including the outermost core orbitals
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January 1985 |
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Mononuclear ruthenium polypyridine complexes that catalyze water oxidation
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January 2016 |
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Enhanced Spectral Sensitivity from Ruthenium(II) Polypyridyl Based Photovoltaic Devices
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December 1994 |
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Proton Discharge on a Gold Electrode from Triethylammonium in Acetonitrile: Theoretical Modeling of Potential-Dependent Kinetic Isotope Effects
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December 2018 |
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Molecular Catalysts for Water Oxidation
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July 2015 |