Published in
Royal Society of Chemistry, Physical Chemistry Chemical Physics, 19(15), p. 7260, 2013
DOI: 10.1039/c3cp50709b
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First principles calculations of the structure and V L edge X ray absorption spectra of V2O5 using local pair natural orbital coupled cluster theory and spin orbit coupled configuration interaction approaches
Journal article published in 2013 by
Dimitrios Maganas,
Michael Roemelt,
M. Haevecker,
Michael Hävecker,
Annette Trunschke,
Axel Knop Gericke,
Robert Schlögl,
Frank Neese 
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