Calibration of Scalar Relativistic Density Functional Theory for the Calculation of Sulfur K-Edge X-ray Absorption Spectra

Serena DeBeer George; Frank Neese

doi:10.1021/ic902202s

journal article Jan 21, 2010

Calibration of Scalar Relativistic Density Functional Theory for the Calculation of Sulfur K-Edge X-ray Absorption Spectra

Serena DeBeer George Frank Neese

Inorganic Chemistry Vol. 49 No. 4 pp. 1849-1853 · American Chemical Society (ACS)

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Details

Published: Jan 21, 2010
Vol/Issue: 49(4)
Pages: 1849-1853

Authors

S

Serena DeBeer George

Department of Chemistry and Chemical Biology, Cornell University, Ithaca, New York 14853

F

Frank Neese

Institut für Physikalische und Theoretische Chemie, Universität Bonn, D-53115 Bonn, Germany

Cite This Article

Serena DeBeer George, Frank Neese (2010). Calibration of Scalar Relativistic Density Functional Theory for the Calculation of Sulfur K-Edge X-ray Absorption Spectra. Inorganic Chemistry, 49(4), 1849-1853. https://doi.org/10.1021/ic902202s

Calibration of Scalar Relativistic Density Functional Theory for the Calculation of Sulfur K-Edge X-ray Absorption Spectra

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