相关参考文献
注意:仅列出部分参考文献,下载原文获取全部文献信息。Proton-Coupled Electron Transfer with Photoexcited Metal Complexes
Oliver S. Wenger
ACCOUNTS OF CHEMICAL RESEARCH (2013)
Excited-state proton transfer of photoexcited pyranine in water observed by femtosecond stimulated Raman spectroscopy
Fangyuan Han et al.
CHEMICAL PHYSICS (2013)
Excited-state proton coupled charge transfer modulated by molecular structure and media polarization
Alexander P. Demchenko et al.
CHEMICAL SOCIETY REVIEWS (2013)
Direct simulation of proton-coupled electron transfer across multiple regimes
Joshua S. Kretchmer et al.
JOURNAL OF CHEMICAL PHYSICS (2013)
Excited-State Geometries of Heteroaromatic Compounds: A Comparative TD-DFT and SAC-CI Study
Diane Bousquet et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2013)
Photoinduced Proton-Coupled Electron Transfer of Hydrogen-Bonded p-Nitrophenylphenol-Methylamine Complex in Solution
Chaehyuk Ko et al.
JOURNAL OF PHYSICAL CHEMISTRY B (2013)
Exploring the Metric of Excited State Proton Transfer Reactions
Marika Savarese et al.
JOURNAL OF PHYSICAL CHEMISTRY B (2013)
Oxidative Thymine Mutation in DNA: Water-Wire-Mediated Proton-Coupled Electron Transfer
Robert N. Barnett et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2013)
Theory of the transition from sequential to concerted electrochemical proton-electron transfer
Marc T. M. Koper
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2013)
Proton-Coupled Electron Transfer
David R. Weinberg et al.
CHEMICAL REVIEWS (2012)
Proton-coupled electron transfer: classification scheme and guide to theoretical methods
Sharon Hammes-Schiffer
ENERGY & ENVIRONMENTAL SCIENCE (2012)
Probing Quantum and Dynamic Effects in Concerted Proton-Electron Transfer Reactions of Phenol-Base Compounds
Todd F. Markle et al.
JOURNAL OF PHYSICAL CHEMISTRY B (2012)
Base-Induced Phototautomerization in 7-Hydroxy-4-(trifluoromethyl)coumarin
Brittany C. Westlake et al.
JOURNAL OF PHYSICAL CHEMISTRY B (2012)
Multiple-Site Concerted Proton-Electron Transfer Reactions of Hydrogen-Bonded Phenols Are Nonadiabatic and Well Described by Semiclassical Marcus Theory
Joel N. Schrauben et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2012)
Proton-coupled electron transfer of tyrosines in Photosystem II and model systems for artificial photosynthesis: the role of a redox-active link between catalyst and photosensitizer
Leif Hammarstrom et al.
ENERGY & ENVIRONMENTAL SCIENCE (2011)
Theoretical Analysis of Mechanistic Pathways for Hydrogen Evolution Catalyzed by Cobaloximes
Brian H. Solis et al.
INORGANIC CHEMISTRY (2011)
Derivation of an Electron-Proton Correlation Functional for Multicomponent Density Functional Theory within the Nuclear-Electronic Orbital Approach
Andrew Sirjoosingh et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2011)
Diabatization Schemes for Generating Charge-Localized Electron-Proton Vibronic States in Proton-Coupled Electron Transfer Systems
Andrew Sirjoosingh et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2011)
Proton-Coupled Electron Transfer versus Hydrogen Atom Transfer: Generation of Charge-Localized Diabatic States
Andrew Sirjoosingh et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2011)
Current Theoretical Challenges in Proton-Coupled Electron Transfer: Electron-Proton Nonadiabaticity, Proton Relays, and Ultrafast Dynamics
Sharon Hammes-Schiffer
JOURNAL OF PHYSICAL CHEMISTRY LETTERS (2011)
Theoretical Analysis of Proton Relays in Electrochemical Proton-Coupled Electron Transfer
Benjamin Auer et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2011)
When electrons and protons get excited
Sharon Hammes-Schiffer
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA (2011)
Concerted electron-proton transfer in the optical excitation of hydrogen-bonded dyes
Brittany C. Westlake et al.
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA (2011)
Recent Experimental Advances on Excited-State Intramolecular Proton Coupled Electron Transfer Reaction
Cheng-Chih Hsieh et al.
ACCOUNTS OF CHEMICAL RESEARCH (2010)
Theory of Coupled Electron and Proton Transfer Reactions
Sharon Hammes-Schiffer et al.
CHEMICAL REVIEWS (2010)
Extensive TD-DFT Benchmark: Singlet-Excited States of Organic Molecules
Denis Jacquemin et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2009)
Mapping GFP structure evolution during proton transfer with femtosecond Raman spectroscopy
Chong Fang et al.
NATURE (2009)
TD-DFT performance for the visible absorption spectra of organic dyes: Conventional versus long-range hybrids
Denis Jacquemin et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2008)
Spectroscopy and femtosecond dynamics of excited-state proton transfer induced charge transfer reaction
Cheng-Chih Hsieh et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2008)
Proton-coupled electron transfer
My Hang V. Huynh et al.
CHEMICAL REVIEWS (2007)
Lone pair-π and π-π interactions play an important role in proton-coupled electron transfer reactions
Gino A. DiLabio et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2007)
The possible role of proton-coupled electron transfer (PCET) in water oxidation by photosystem II
Thomas J. Meyer et al.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION (2007)
Calculation of vibronic couplings for phenoxyl/phenol and benzyl/toluene self-exchange reactions: Implications for proton-coupled electron transfer mechanisms
Jonathan H. Skone et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2006)
How many metals does it take to fix N2?: A mechanistic overview of biological nitrogen fixation
James B. Howard et al.
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA (2006)
Time-dependent density functional theory investigation of the absorption, fluorescence, and phosphorescence spectra of solvated coumarins
Denis Jacquemin et al.
JOURNAL OF CHEMICAL PHYSICS (2006)
Ultrafast interfacial proton-coupled electron transfer
B Li et al.
SCIENCE (2006)
Electronic excitation energies of molecules in solution within continuum solvation models: Investigating the discrepancy between state-specific and linear-response methods
S Corni et al.
JOURNAL OF CHEMICAL PHYSICS (2005)
A new hybrid exchange-correlation functional using the Coulomb-attenuating method (CAM-B3LYP)
T Yanai et al.
CHEMICAL PHYSICS LETTERS (2004)