Stephan P. A. Sauer

Stephan P. A. Sauer

Professor

ORCID: 0000-0003-4812-0522

Publication year:
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1 - 17 out of 17Page size: 50
  1. 2011
  2. Published

    David M. Bishop: esteemed colleague and dear friend

    Sauer, Stephan P. A., 2011, In: International Journal of Quantum Chemistry. 111, 4, p. 723-724

    Research output: Contribution to journal › Editorial › Research

  3. Published

    Nuclear magnetic resonance shielding constants and chemical shifts in linear 199Hg compounds: a comparison of three relativistic computational methods

    Arcisauskaité, V., Melo, J. I., Hemmingsen, Lars Bo Stegeager & Sauer, Stephan P. A., 2011, In: Journal of Chemical Physics. 135, 044306, 11 p.

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

  4. Published

    Benchmarking SOPPA(CC2) for the calculation of indirect nuclear spin spin coupling constants: Carbocycles

    Kjær, H., Sauer, Stephan P. A., Kongsted, J., Rusakov, Y. Y. & Krivdin, L. B., 18 Jan 2011, In: Chemical Physics. 381, p. 35 43 p.

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

  5. Published

    Benchmarking the multipole shielding polarizability / reaction field approach to solvation against QM/MM. Applications to the shielding constants of N-methylacetamide

    Kjær, H., Sauer, Stephan P. A. & Kongsted, J., 25 Jan 2011, In: Journal of Chemical Physics. 134, 4, p. 044514 11 p.

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

  6. Published

    From CCSD(T)/aug-cc-pVTZ-J to CCSD(T) Complete Basis Set Limit Isotropic Nuclear Magnetic Shieldings via affordable DFT/CBS Calculations

    Kupka, T., Stachow, M., Nieradka, M., Kaminsky, J., Pluta, T. & Sauer, Stephan P. A., 9 Mar 2011, In: Magnetic Resonance in Chemistry. 49, 4, p. 231-236

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

  7. Published

    Calculated rotational and vibrational g factors of LiH X 1S+ and evaluation of parameters in radial functions from rotational and vibration-rotational spectra

    Sauer, Stephan P. A., Paidarová, I., Oddershede, J., Bak, K. L. & Ogilvie, J. F., 15 Mar 2011, In: International Journal of Quantum Chemistry. 111, 4, p. 736-752

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

  8. Published

    David M. Bishop Curriculum Vitae

    Sauer, Stephan P. A., 15 Mar 2011, In: International Journal of Quantum Chemistry. 111, 4, p. 725

    Research output: Contribution to journal › Journal article › Research

  9. 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

  10. Published

    An Isofagomine Analogue with an Amidine at the Pseudoanomeric Position

    Lindbäck, E., López, Ó., Fernández-Bolaños, J. G., Sauer, Stephan P. A. & Bols, Mikael, 6 May 2011, In: Organic Letters. 13, 11, p. 2908-2911

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

  11. Published

    Definitive Benchmark Study of Ring Current Effects on Amide Proton Chemical Shifts

    Christensen, A. S., Sauer, Stephan P. A. & Jensen, Jan Halborg, 1 Jun 2011, In: Journal of Chemical Theory and Computation. 7, 7, p. 2078 2084 p.

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

  12. Published

    Electric field effects on nuclear spin-spin coupling tensors and chiral discrimination via NMR spectroscopy

    Pagola, G. I., Ferraro, M. B., Pelloni, S., Lazzeretti, P. & Sauer, Stephan P. A., 1 Jun 2011, In: Theoretical Chemistry Accounts. 129, 3-5, p. 359-366 7 p.

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

  13. Published

    Mean Excitation Energies for Biomolecules: Glycine to DNA

    Sauer, Stephan P. A., Oddershede, J. & Sabin, J. R., 28 Jul 2011, In: Advances in Quantum Chemistry. 62, p. 215-242

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

  14. Published

    Molecular Electromagnetism: A Computational Chemistry Approach

    Sauer, Stephan P. A., Aug 2011, Oxford: Oxford University Press. 320 p.

    Research output: Book/Report › Book › Education

  15. Published

    Erratum: Electric field effects on nuclear spin-spin coupling tensors and chiral discrimination via NMR spectroscopy

    Pagola, G. I., Ferraro, M. B., Pelloni, S., Lazzeretti, P. & Sauer, Stephan P. A., 12 Aug 2011, In: Theoretical Chemistry Accounts. 130, 1, p. 127 1 p.

    Research output: Contribution to journal › Comment/debate › Research › peer-review

  16. Published

    The coupling constant polarizability and hyperpolarizabilty of 1J(NH) in N-methylacetamide, and its application for the multipole spin–spin coupling constant polarizability/reaction field approach to solvation

    Kjær, H., Sauer, Stephan P. A. & Kongsted, J., 26 Aug 2011, In: Journal of Computational Chemistry. 32, 15, p. 3168-3174 7 p.

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

  17. Published

    Pople style basis sets for the calculation of NMR spin-spin coupling constants: the 6-31G-J and 6-311G-J basis sets

    Kjær, H. & Sauer, Stephan P. A., 24 Oct 2011, In: Journal of Chemical Theory and Computation. 7, 12, p. 4070 4076 p.

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

  18. Published

    Optimized Basis sets for Calculation of Electron Paramagnetic Resonance Hyperfine Coupling Constants: aug-cc-pVTZ-J for the 3d atoms Sc–Zn

    Hedegård, E. D., Kongsted, J. & Sauer, Stephan P. A., 14 Nov 2011, In: Journal of Chemical Theory and Computation. 7, 12, p. 4077 4087 p.

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

ID: 9770