Efficient Constrained Density Functional Theory Implementation for Simulation of Condensed Phase Electron Transfer Reactions
Author:
Affiliation:
1. COMP Centre of Excellence in Computational Nanoscience, Department of Chemistry, Aalto University, P.O. Box 16100, FI-00076 Aalto, Finland
Funder
Suomen Akatemia
Kemian tekniikan korkeakoulu, Aalto-yliopisto
Publisher
American Chemical Society (ACS)
Subject
Physical and Theoretical Chemistry,Computer Science Applications
Link
https://pubs.acs.org/doi/pdf/10.1021/acs.jctc.6b01085
Reference106 articles.
1. Function and Structure of Complex II of the Respiratory Chain
2. The Cytochrome bc1 Complex: Function in the Context of Structure
3. A giant molecular proton pump: structure and mechanism of respiratory complex I
4. Metalloproteins Containing Cytochrome, Iron–Sulfur, or Copper Redox Centers
5. Recent Advances in the Theory and Molecular Simulation of Biological Electron Transfer Reactions
Cited by 43 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. Nonadiabatic Proton-Coupled Electron Transfer at a Graphitic Surface Immobilized Cobalt Porphyrin;ACS Catalysis;2024-09-13
2. First-Principles Nonadiabatic Dynamics of Molecules at Metal Surfaces with Vibrationally Coupled Electron Transfer;Physical Review Letters;2024-07-19
3. Multidimensional high-harmonic echo spectroscopy: Resolving coherent electron dynamics in the EUV regime;Proceedings of the National Academy of Sciences;2024-02-05
4. Ru-pincer complexes as charge transfer mediators in electrocatalytic CO2 reduction;Molecular Catalysis;2024-02
5. Simulating Electron Transfer Reactions in Solution: Radical-Polar Crossover;The Journal of Physical Chemistry B;2023-11-17
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