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A first-principles DFT study of UN bulk and (001) surface: comparative LCAO and PW calculations

R A Evarestov1, A V Bandura, M V Losev

  • 1Department of Quantum Chemistry, St. Petersburg State University, 198504 St. Peterhof, University Prospect 26, Russia. re1973@re1973.spb.edu

Journal of Computational Chemistry
|May 23, 2008
PubMed

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