Stephan P. A. Sauer

Stephan P. A. Sauer

Professor

ORCID: 0000-0003-4812-0522

Publication year:
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  1. 2023
  2. E-pub ahead of print

    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., 10 Mar 2023, (E-pub ahead of print) In: The Journal of Chemical Physics.

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

  3. Published

    A Combined Experimental and Theoretical Study of ESR Hyperfine Coupling Constants for N,N,N’,N’-Tetrasubstituted p-Phenylenediamine Radical Cations

    Gleeson, R., Andersen, C. L., Rapta, P., Machata, P., Christensen, Jørn Bolstad, Hammerich, Ole & Sauer, Stephan P. A., 8 Feb 2023, In: International Journal of Molecular Sciences (Online). 24, 4, 17 p., 3447.

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

  4. 2022
  5. Published

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

    Sørensen, Lea Northcote & 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 › peer-review

  6. Published

    Magnesium(II)‐ATP Complexes in 1‐Ethyl‐3‐Methylimidazolium Acetate Solutions Characterized by 31Mg β‐Radiation‐Detected NMR Spectroscopy

    Mcfadden, R. M. L., Szunyogh, D., Bravo-frank, N., Chatzichristos, A., Dehn, M. H., Fujimoto, D., Jancsó, A., Johannsen, S., Kálomista, I., Karner, V. L., Kiefl, R. F., Larsen, F. H., Lassen, J., Levy, C. D. P., Li, R., Mckenzie, I., Mcphee, H., Morris, G. D., Pearson, M. R., Sauer, Stephan P. A., Sigel, R. K. O., Thulstrup, Peter Waaben, Macfarlane, W. A., Hemmingsen, Lars Bo Stegeager & Stachura, M., 26 Aug 2022, In: Angewandte Chemie International Edition. 61, 35, 8 p., e202207137.

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

  7. Published

    Extending NMR Quantum Computation Systems by Employing Compounds with Several Heavy Metals as Qubits

    Lino, J. B. D. R., Gonçalves, M. A., Sauer, Stephan P. A. & Ramalho, T. C., 21 Apr 2022, In: Magnetochemistry. 8, 5, 15 p., 47.

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

  8. Published

    A Tale of Two Vectors: A Lanczos Algorithm For Calculating RPA Mean Excitation Energies

    Zamok, L., Coriani, S. & Sauer, Stephan P. A., 3 Jan 2022, In: The Journal of Chemical Physics. 156, 1, 16 p., 014102.

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

  9. 2021
  10. Published

    On the unexpected accuracy of the M06L functional in the calculation of 1JFC spin-spin coupling constants

    de Giovanetti, M., Bitencourt, L. F. F., Cormanich, R. & Sauer, Stephan P. A., 14 Dec 2021, In: Journal of Chemical Theory and Computation. 17, 12, p. 7712–7723 12 p.

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

  11. 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 › peer-review

  12. Published

    Azo-hydrazone molecular switches: Synthesis and NMR conformational investigation

    Kurutos, A., Kamounah, F. S., Dobrikov, G. M., Pittelkow, Michael, Sauer, Stephan P. A. & Hansen, P. E., 4 Oct 2021, In: Magnetic Resonance in Chemistry. 59, 11, p. 1116-1125 10 p.

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

  13. Published

    The aug-cc-pVTZ-J basis set for the p-block fourth-row elements Ga, Ge, As, Se and Br

    Svendsen, C. S. & Sauer, Stephan P. A., 4 Oct 2021, In: Magnetic Resonance in Chemistry. 59, 11, p. 1134-1145 12 p.

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

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ID: 9770