Stephan P. A. Sauer

Stephan P. A. Sauer

Professor

ORCID: 0000-0003-4812-0522

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  1. Published

    Fully relativistic coupled cluster and DFT study of electric field gradients at Hg in 199Hg compounds

    Arcisauskaité, V., Knecht, S., Sauer, Stephan P. A. & Hemmingsen, Lars Bo Stegeager, 2012, In: Physical Chemistry Chemical Physics. 14, 8, p. 2651-2657

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

  2. Published

    Gauge invariant calculations of nuclear magnetic shielding constants using the continuous transformation of the origin of the current density approach. II. Density functional and coupled cluster theory

    Ligabue, A., Sauer, Stephan P. A. & Lazzeretti, P., 2007, In: Journal of Chemical Physics. 126, p. 154111/1-14 14 p.

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

  3. 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

  4. 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

  5. Published

    Heterobimetallic Nitride Complexes from Terminal Chromium(V) Nitride Complexes: Hyperfine Coupling Increases with Distance

    Bendix, Jesper, Anthon, Christian, Schau-Magnussen, M., Brock-Nannestad, Theis, Vibenholt, J., Rehman, M. & Sauer, Stephan P. A., 6 Apr 2011, In: Angewandte Chemie International Edition. 50, 19, p. 4480-4483

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

  6. Published

    Implicit and explicit solvent models have opposite effects on radiation damage rate constant for thymine

    Northcote, Lea Kjærgaard & Sauer, Stephan P. A., 21 Sep 2022, In: Advances in Quantum Chemistry. 85, p. 245-265 21 p.

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

  7. Published

    Importance of triples contributions to NMR spin-spin coupling constants computed at the CC3 and CCSDT levels

    Faber, R., Sauer, Stephan P. A. & Gauss, J., 14 Feb 2017, In: Journal of Chemical Theory and Computation. 13, 2, p. 696-709 14 p.

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

  8. Published

    Improving the calculation of electron paramagnetic resonance hyperfine coupling tensors for d-block metals

    Hedegård, E. D., Kongsted, J. & Sauer, Stephan P. A., 2012, In: Physical Chemistry Chemical Physics. 14, 30, p. 10669-10676 8 p.

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

  9. Published

    Indirect nuclear spin-spin coupling constants and chemical shifts in norbornene-derivatives bearing boronic acid pinacol ester group

    Zarycz, M. N. C., Provasi, P. F., Vallejos, M. M. & Sauer, Stephan P. A., Dec 2021, In: Trends in Physical Chemistry. 21, p. 41-54 14 p.

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

  10. Published

    Indirect nuclear spin-spin couplings with third order contributions added to the SOPPA method

    Sanz Rodrigo, J., Hillers-Bendtsen, Andreas Erbs, Kjeldal, F. Ø., Høyer, N. M., Mikkelsen, Kurt Valentin & Sauer, Stephan P. A., 28 Mar 2023, In: The Journal of Chemical Physics. 158, 12, 10 p., 124118.

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

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