Stephan P. A. Sauer

Stephan P. A. Sauer

Professor

ORCID: 0000-0003-4812-0522

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  1. Published

    Development of polarization consistent basis sets for spin-spin coupling constant calculations for the atoms Li, Be, Na, and Mg

    Aggelund, P. A., Sauer, Stephan P. A. & Jensen, F., 28 Jul 2018, In: The Journal of Chemical Physics. 149, 4, p. 1-10 10 p., 044117.

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

  2. Published

    Analysis of the interactions in FCCF: (H2O) and FCCF:(H2O)2 complexes through the study of their indirect spin–spin coupling constants

    Caputo, M. C., Alkorta, I., Provasi, P. F. & Sauer, Stephan P. A., 17 Sep 2018, In: Molecular Physics. 116, 18, p. 2396-2405 10 p.

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

  3. Published

    The role of explicit solvent molecules in the calculation of NMR chemical shifts of glycine in water

    Caputo, M. C., Provasi, P. F. & Sauer, Stephan P. A., 2018, In: Theoretical Chemistry Accounts. 137, 7, 8 p., 88.

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

  4. Published

    On the Convergence of the ccJ-pVXZ and pcJ-n Basis Sets in CCSD Calculations of Nuclear Spin-Spin Coupling Constants: Some Difficult Cases

    Faber, R. & Sauer, Stephan P. A., 2018, In: Theoretical Chemistry Accounts. 137, 14 p., 35.

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

  5. Published

    Relativistic DFT calculations of hyperfine coupling constants in the 5d hexafluorido complexes: [ReF6]2- and [IrF6]2-

    Haase, P. A. B., Repisky, M., Komorovsky, S., Bendix, Jesper & Sauer, Stephan P. A., 2018, In: Chemistry: A European Journal. 24, 20, p. 5124-5133 11 p.

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

  6. Published

    Theoretical Study of the NMR Chemical Shift of Xe in Supercritical Condition

    Lacerda Junior, E. G., Sauer, Stephan P. A., Mikkelsen, Kurt Valentin, Coutinho, K. & Canuto, S., 2018, In: Journal of Molecular Modeling. 24, 7 p., 62.

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

  7. Published

    A physical model of the proton radiation belts of Jupiter inside Europa’s orbit

    Nénon, Q., Sicard, A., Kollmann, P., Garrett, H. B., Sauer, Stephan P. A. & Paranicas, C., 2018, In: Journal of Geophysical Research: Space Physics. 123, 5, p. 3512-3532 21 p.

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

  8. Published

    The influence of relativistic effects on nuclear magnetic resonance spin-spin coupling constant polarizabilities of H2O2, H2S2, H2Se2 and H2Te2

    Pagola, G. I., Larsen, M. A. B., Ferraro, M. B. & Sauer, Stephan P. A., 2018, In: Journal of Computational Chemistry. 39, 31, p. 2589-2600 12 p.

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

  9. Published

    Z-dependence of Mean Excitation Energies for Second and Third Row Atoms and Their Ions

    Sauer, Stephan P. A., Sabin, J. R. & Oddershede, J., 2018, In: The Journal of Chemical Physics. 148, 8 p., 174307.

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

  10. Published

    RPA(D) and HRPA(D): Two new models for calculations of NMR Indirect nuclear spin-spin coupling constants

    Schnack-Petersen, A. K., Haase, P. A. B., Faber, R., Provasi, P. F. & Sauer, Stephan P. A., 2018, In: Journal of Computational Chemistry. 39, 32, p. 2647-2666 20 p.

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

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ID: 9770