Validation of Exchange−Correlation Functionals for Spin States of Iron Complexes
Author:
Affiliation:
1. Department of Chemistry, Faculty of Sciences, Vrije Universiteit Amsterdam, de Boelelaan 1083, 1081 HV Amsterdam, The Netherlands
Publisher
American Chemical Society (ACS)
Subject
Physical and Theoretical Chemistry
Link
https://pubs.acs.org/doi/pdf/10.1021/jp049043i
Reference59 articles.
1. Cytochrome P450
2. Role of the Heme Active Site and Protein Environment in Structure, Spectra, and Function of the Cytochrome P450s
3. High-level ab initio calculations on the energetics of low-lying spin states of biologically relevant transition metal complexes: a first progress report
4. Structure and Spectra of Ferrous Dioxygen and Reduced Ferrous Dioxygen Model Cytochrome P450
Cited by 390 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. 3d-metal macrocyclic complexes containing porphyrazine/ perfluoroporphyrazine and fluoro ligands: Structural and thermodynamic parameters according to the various DFT model chemistries;Journal of Porphyrins and Phthalocyanines;2024-07
2. Endeavoring Cerium(IV)-Alkyl, -Aryl and -Alkynyl Complexes by an Energy-Level Match Strategy;CCS Chemistry;2024-05-03
3. Iron-Catalyzed Intramolecular C(sp3)-H Lactonization of Hydroxamate Derivatives Promoted by a 1,5-HAT;ACS Catalysis;2024-03-06
4. Photoredox matching of earth-abundant photosensitizers with hydrogen evolving catalysts by first-principles predictions;The Journal of Chemical Physics;2024-02-20
5. Coordination compounds with subporphyrazine may exist: DFT quantum chemical prediction for M(ii) complexes with a given macrocyclic ligand (M = Ti–Zn);New Journal of Chemistry;2024
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