Stephan P. A. Sauer

Stephan P. A. Sauer

Professor

ORCID: 0000-0003-4812-0522

Publication year:
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81 - 90 out of 260Page size: 10
  1. 2017
  2. 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

  3. Published

    On the convergence of zero-point vibrational corrections to nuclear shieldings and shielding anisotropies towards the complete basis set limit in water

    Faber, R., Buczek, A., Kupka, T. & Sauer, Stephan P. A., 2017, In: Molecular Physics. 115, 1-2, p. 144-160 7 p.

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

  4. Published

    Quadrupole moments of Cd and Zn nuclei: When solid-state, molecular, atomic, and nuclear theory meet

    Haas, H., Sauer, Stephan P. A., Hemmingsen, Lars Bo Stegeager, Kellö, V. & Zhao, P. W., 2017, In: EPL. 117, 6, 6 p., 62001.

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

  5. Published

    Continuum contributions to dipole oscillator-strength sum rules for hydrogen in finite basis sets

    Oddershede, J., Ogilvie, J. F., Sauer, Stephan P. A. & Sabin, J. R., 2017, Advances in Quantum Chemistry: Ratner Volume. Sabin, J. & Brandas, E. (eds.). Elsevier, Vol. 75. p. 229-241 13 p. (Advances in Quantum Chemistry).

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

  6. Published

    Molecular Switching in Confined Spaces: Effects of Encapsulating the DHA/VHF Photo-Switch in Cucurbiturils

    Petersen, M. Å., Rasmussen, B., Andersen, N. N., Sauer, Stephan P. A., Nielsen, Mogens Brøndsted, Beeren, S. R. & Pittelkow, Michael, 2017, In: Chemistry: A European Journal. 23, 67, p. 17010-17016 7 p.

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

  7. 2016
  8. Published

    Rovibrational and temperature effects in theoretical studies of NMR parameters

    Faber, R., Kaminsky, J. & Sauer, Stephan P. A., 2016, Gas Phase NMR. Jackowski, K. & Jaszuński, M. (eds.). Royal Society of Chemistry, p. 218-266 49 p. (New Developments in NMR, Vol. 6).

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

  9. Published

    Spin-orbit ZORA and four-component Dirac-Coulomb estimation of relativistic corrections to isotropic nuclear shieldings and chemical shifts of noble gas dimers

    Jankowska, M., Kupka, T., Stobiński, L., Faber, R., Lacerda Junior, E. G. & Sauer, Stephan P. A., 2016, In: Journal of Computational Chemistry. 37, 4, p. 395-403 9 p.

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

  10. Published

    The effect of solvation on the radiation damage rate constants for adenine

    Milhøj, B. O. & Sauer, Stephan P. A., 2016, In: ChemPhysChem. 17, 19, p. 3086–3095 10 p.

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

  11. Published

    Ligand sphere conversions in terminal carbide complexes

    Morsing, T. J., Reinholdt, A., Sauer, Stephan P. A. & Bendix, Jesper, 2016, In: Organometallics. 35, 2, p. 100-105 6 p.

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

  12. Published

    DFT and experimental studies on structure and spectroscopic parameters of 3,6-diiodo-9-ethyl-9H-carbazole

    Radula-Janik, K., Kupka, T., Ejsmont, K., Daszkiewicz, Z. & Sauer, Stephan P. A., 2016, In: Structural Chemistry. 27, 1, p. 199-207 9 p.

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

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