Prediction of Iron K-Edge Absorption Spectra Using Time-Dependent Density Functional Theory-Reference-Cited by-同舟云学术

Prediction of Iron K-Edge Absorption Spectra Using Time-Dependent Density Functional Theory

Published:2008-08-13 Issue:50 Volume:112 Page:12936-12943
ISSN:1089-5639
Container-title:The Journal of Physical Chemistry A
language:en
Short-container-title:J. Phys. Chem. A

Author:

DeBeer George Serena¹,Petrenko Taras¹,Neese Frank¹

Affiliation:

1. Stanford Synchrotron Radiation Laboratory, SLAC, Stanford University, Stanford, California 94309, and Institut für Physikalische und Theoretische Chemie, Universität Bonn, Wegelerstrasse 12, D-53115 Bonn, Germany

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/jp803174m

Reference48 articles.

1. X-ray absorption spectroscopy of iron-tyrosinate proteins

2. A Multiplet Analysis of Fe K-Edge 1s → 3d Pre-Edge Features of Iron Complexes

3. Observations and interpretation of x-ray absorption edges in iron compounds and proteins

4. Observation of an electric quadrupole transition in the X-ray absorption spectrum of a Cu(II) complex

5. On the Multipole Character of the X-Ray Transitions in the Pre-Edge Structure of Fe K Absorption Spectra. An Experimental Study

Cited by 255 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. Direct carbon dioxide hydrogenation to long-chain α-olefins over FeMnK catalysts;Applied Catalysis B: Environment and Energy;2024-12

2. Trapping an Elusive Fe(IV)-Superoxo Intermediate Inside a Self-Assembled Nanocage in Water at Room Temperature;Journal of the American Chemical Society;2024-07-30

3. A new parameterization of the DFT/CIS method with applications to core-level spectroscopy;The Journal of Chemical Physics;2024-07-25

4. Revealing the atomic and electronic mechanism of human manganese superoxide dismutase product inhibition;Nature Communications;2024-07-16

5. The role of Tyr34 in proton-coupled electron transfer of human manganese superoxide dismutase;2024-06-11