Validating and Analyzing EPR Hyperfine Coupling Constants with Density Functional Theory

Erik D. Hedegård; Jacob Kongsted; Stephan P. A. Sauer

doi:10.1021/ct400171c

journal article May 02, 2013

Validating and Analyzing EPR Hyperfine Coupling Constants with Density Functional Theory

Erik D. Hedegård

Jacob Kongsted

Stephan P. A. Sauer

Journal of Chemical Theory and Computation Vol. 9 No. 5 pp. 2380-2388 · American Chemical Society (ACS)

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Details

Published: May 02, 2013
Vol/Issue: 9(5)
Pages: 2380-2388

Authors

E

Erik D. Hedegård

Department of Physics, Chemistry and Pharmacy, University of Southern Denmark

J

Jacob Kongsted

Department of Physics, Chemistry and Pharmacy, University of Southern Denmark

S

Stephan P. A. Sauer

Department of Chemistry, University of University, Copenhagen

Cite This Article

Erik D. Hedegård, Jacob Kongsted, Stephan P. A. Sauer (2013). Validating and Analyzing EPR Hyperfine Coupling Constants with Density Functional Theory. Journal of Chemical Theory and Computation, 9(5), 2380-2388. https://doi.org/10.1021/ct400171c

Validating and Analyzing EPR Hyperfine Coupling Constants with Density Functional Theory

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