Time-dependent density functional theory calculations of the spectroscopy of core electrons
Author:
Publisher
Royal Society of Chemistry (RSC)
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
http://pubs.rsc.org/en/content/articlepdf/2010/CP/C002207A
Reference118 articles.
1. Chemical bonding on surfaces probed by X-ray emission spectroscopy and density functional theory
2. Electronic Structures of Metal Sites in Proteins and Models: Contributions to Function in Blue Copper Proteins
3. Characterization of “spectroscopically quiet” metals in biology
4. X-ray absorption spectroscopy
5. Near edge X-ray absorption fine structure spectroscopy as a tool to probe electronic and structural properties of thin organic films and liquids
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