Stephan P. A. Sauer

Stephan P. A. Sauer

Professor

ORCID: 0000-0003-4812-0522

Publication year:
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1 - 10 out of 14Page size: 10
  1. 2013
  2. Published

    On the use of locally dense basis sets in the calculation of EPR hyperfine couplings: a study on model systems for bio-inorganic Fe and Co complexes

    Milhøj, B. O., Hedegård, E. D. & Sauer, Stephan P. A., Sep 2013, In: Current Inorganic Chemistry. 3, 3, p. 270-283 14 p.

    Research output: Contribution to journal › Journal article › Research › peer-review

  3. Published

    Effective potential energy curves of the ground electronic state of CH+

    Sauer, Stephan P. A. & Spirko, V., 2013, In: Journal of Chemical Physics. 138, 2, 9 p., 024315.

    Research output: Contribution to journal › Journal article › Research › peer-review

  4. Published

    Estimation of isotropic nuclear magnetic shieldings in the CCSD(T) and MP2 complete basis set limit using affordable correlation calculations

    Kupka, T., Stachów, M., Kaminsky, J. & Sauer, Stephan P. A., 2013, In: Magnetic Resonance in Chemistry. 51, 8, p. 482-489 8 p.

    Research output: Contribution to journal › Journal article › Research › peer-review

  5. Published

    Failures of TDDFT in describing the lowest intramolecular charge-transfer excitation in para-nitroaniline

    Eriksen, J. J., Sauer, Stephan P. A., Mikkelsen, Kurt Valentin, Christiansen, O., Jensen, H. J. A. & Kongsted, J., 2013, In: Molecular Physics. 111, 9-11, p. 1235-1248 14 p.

    Research output: Contribution to journal › Journal article › Research › peer-review

  6. Published

    First example of a high-level correlated calculation of the indirect spin-spin coupling constants involving tellurium: tellurophene and divinyl telluride

    Rusakov, Y. Y., Krivdin, L. B., Østerstrøm, Freja From, Sauer, Stephan P. A., Potapov, V. A. & Amosova, S. V., 2013, In: Physical Chemistry Chemical Physics. 15, 31, p. 13101-13107 7 p.

    Research output: Contribution to journal › Journal article › Research › peer-review

  7. Published

    Glycine: theory of the interaction with fast ion radiation

    Sabin, J. R., Oddershede, J. & Sauer, Stephan P. A., 2013, Glycine. Vojak, W. (ed.). Nova Science Publishers, p. 79-96 18 p.

    Research output: Chapter in Book/Report/Conference proceeding › Book chapter › Research › peer-review

  8. Published

    Halogen effect on structure and 13C NMR chemical shift of 3,6-disubstituted-N-alkyl carbazoles

    Radula-Janik, K., Kupka, T., Ejsmont, K., Daszkiewicz, Z. & Sauer, Stephan P. A., 2013, In: Magnetic Resonance in Chemistry. 51, 10, p. 630-635 6 p.

    Research output: Contribution to journal › Journal article › Research › peer-review

  9. Published

    Magnetic interactions in oxide-bridged dichromium(III) complexes. Computational determination of the importance of non-bridging ligands

    Morsing, T. J., Sauer, Stephan P. A., Weihe, Høgni, Bendix, Jesper & Døssing, Anders Rørbæk, 2013, In: Inorganica Chimica Acta. 396, p. 72-77 6 p.

    Research output: Contribution to journal › Journal article › Research › peer-review

  10. Published

    On the determination of the mean excitation energy of water

    Sabin, J. R., Oddershede, J. & Sauer, Stephan P. A., 2013, Advances in quantum chemistry. Elsevier, p. 63-77 15 p. (Advances in Quantum Chemistry, Vol. 65).

    Research output: Chapter in Book/Report/Conference proceeding › Book chapter › Research › peer-review

  11. Published

    Optimizing the structure of Tetracyanoplatinate(II): a comparison of relativistic density functional theory methods

    Dohn, A. O., Møller, K. B. & Sauer, Stephan P. A., 2013, In: Current Inorganic Chemistry. 3, 3, p. 213-219 7 p.

    Research output: Contribution to journal › Journal article › Research › peer-review

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ID: 9770