Impact of finite-temperature and condensed-phase effects on theoretical X-ray absorption spectra of transition metal complexes-Reference-Cited by-同舟云学术

登录注册会员服务联系我们

Impact of finite-temperature and condensed-phase effects on theoretical X-ray absorption spectra of transition metal complexes

Published:2018-10-11 Issue:5 Volume:40 Page:712-716
ISSN:0192-8651
Container-title:Journal of Computational Chemistry
language:en
Short-container-title:J. Comput. Chem.

Author:

Müller Patrick¹,Karhan Kristof¹,Krack Matthias²,Gerstmann Uwe³,Schmidt Wolf Gero³,Bauer Matthias⁴,Kühne Thomas D.⁴^ORCID

Affiliation:

1. Department of Chemistry; University of Paderborn; Warburger Str. 100, 33098 Paderborn Germany

2. Laboratory for Scientific Computing and Modelling; Paul Scherrer Institut; CH-5232 Villigen PSI Switzerland

3. Department of Physics; University of Paderborn; Warburger Str. 100, 33098 Paderborn Germany

4. Department of Chemistry and Center for Sustainable Systems Design; University of Paderborn; Warburger Str. 100, 33098 Paderborn Germany

Funder

Bundesministerium für Bildung und Forschung

H2020 European Research Council

German Ministry for Science and Education

German Research Council

Publisher

Wiley

Subject

Computational Mathematics,General Chemistry

Link

http://onlinelibrary.wiley.com/wol1/doi/10.1002/jcc.25641/fullpdf

Reference55 articles.

1. Investigation of the Formation Reaction and Structural Characterization of the „Platinum Grignard Reagent” [Pt(MgCl)2(THF)x] by Extended X-ray absorption fine structure (EXAFS) and Other methods

2. X-ray absorption spectroscopy to analyze nuclear geometry and electronic structure of biological metal centers?potential and questions examined with special focus on the tetra-nuclear manganese complex of oxygenic photosynthesis

3. Photosynthetic O 2 Formation Tracked by Time-Resolved X-ray Experiments

4. Gold Catalysis: In Situ EXAFS Study of Homogeneous Oxidative Esterification

5. Reflections on hard X-ray photon-in/photon-out spectroscopy for electronic structure studies

Cited by 6 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. Detection and Characterization of Hydride Ligands in Copper Complexes by Hard X‐Ray Spectroscopy;Chemistry – A European Journal;2024-05-22

2. K-Edge XANES Investigation of Fe-Based Oxides by Density Functional Theory Calculations;The Journal of Physical Chemistry C;2021-11-18

3. Assessing temperature effects on multipole contributions and angular dependence in core-level spectroscopies;Physical Review B;2021-07-06

4. Scrutinizing “Ligand Bands” via Polarized Single-Crystal X-ray Absorption Spectra of Copper(I) and Copper(II) Bis-2,2′-bipyridine Species;Inorganic Chemistry;2020-09-01

5. CP2K: An electronic structure and molecular dynamics software package - Quickstep: Efficient and accurate electronic structure calculations;The Journal of Chemical Physics;2020-05-21

同舟云学术

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