Density Functional Theory Calculations of Core–Electron Binding Energies at the K-Edge of Heavier Elements
Author:
Affiliation:
1. School of Chemistry, University of Nottingham, University Park, Nottingham NG7 2RD, U.K.
Publisher
American Chemical Society (ACS)
Subject
Physical and Theoretical Chemistry,Computer Science Applications
Link
https://pubs.acs.org/doi/pdf/10.1021/acs.jctc.1c00171
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1. X-ray Emission Spectroscopy Evidences a Central Carbon in the Nitrogenase Iron-Molybdenum Cofactor
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4. Probing dynamics in quantum materials with femtosecond X-rays
5. Evaluating the Structure of Catalysts Using Core-Level Binding Energies Calculated from First Principles
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