On calculating reorganization energies for electrochemical reactions using density functional theory and continuum solvation models
Author:
Publisher
Elsevier BV
Subject
Electrochemistry,General Chemical Engineering
Reference166 articles.
1. Reorganization energy and pre-exponential factor from temperature-dependent experiments in electron transfer reactions. A typical example: the reduction of tert-nitrobutane;Costentin;Phys. Chem. Chem. Phys.,2012
2. Activation parameters derived from a temperature dependent large amplitude ac voltammetric study of the electrode kinetics of the Cp2M0/+ redox couples (M=Fe, Co) at a glassy carbon electrode;Bullock;J. Phys. Chem. A,2011
3. Asymmetric Marcus theory: application to electrode kinetics;Laborda;J. Electroanal. Chem.,2012
4. Experimental comparison of the Butler–Volmer and Marcus–Hush–Chidsey formalisms of electrode kinetics: the reduction of cyclooctatetraene at mercury hemispherical electrodes via cyclic and square wave voltammetries;Suwatchara;J. Electroanal. Chem.,2012
5. Nonequilibrium solvation: an ab inifio quantum-mechanical method in the continuum cavity model approximation;Aguilar;J. Chem. Phys.,1993
Cited by 15 articles. 订阅此论文施引文献 订阅此论文施引文献,注册后可以免费订阅5篇论文的施引文献,订阅后可以查看论文全部施引文献
1. Bigger is not Better for Indolino‐Oxazoline Photochemical Properties;ChemPhotoChem;2024-06-11
2. Unraveling redox pathways of the disulfide bond in dimethyl disulfide: Ab initio modeling;Journal of Molecular Modeling;2024-05-23
3. Noncatalytic Reductive Deiodination of Thyroid Hormones. Electrochemistry and Quantum Chemical Calculations;ChemElectroChem;2023-12-18
4. Mechanistic explorations on the decarboxylative allylation of amino esters via dual photoredox and palladium catalysis;Organic & Biomolecular Chemistry;2023
5. AutoSolvate: A toolkit for automating quantum chemistry design and discovery of solvated molecules;The Journal of Chemical Physics;2022-03-28
1.学者识别学者识别
2.学术分析学术分析
3.人才评估人才评估
"同舟云学术"是以全球学者为主线,采集、加工和组织学术论文而形成的新型学术文献查询和分析系统,可以对全球学者进行文献检索和人才价值评估。用户可以通过关注某些学科领域的顶尖人物而持续追踪该领域的学科进展和研究前沿。经过近期的数据扩容,当前同舟云学术共收录了国内外主流学术期刊6万余种,收集的期刊论文及会议论文总量共计约1.5亿篇,并以每天添加12000余篇中外论文的速度递增。我们也可以为用户提供个性化、定制化的学者数据。欢迎来电咨询!咨询电话:010-8811{复制后删除}0370
www.globalauthorid.com
TOP
Copyright © 2019-2024 北京同舟云网络信息技术有限公司 京公网安备11010802033243号 京ICP备18003416号-3