Stephan P. A. Sauer

Stephan P. A. Sauer

Professor

ORCID: 0000-0003-4812-0522

Publication year:
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61 - 70 out of 259Page size: 10
  1. 2002
  2. Published

    Non-empirical calculations of NMR indirect carbon-carbon coupling constants: 1. Three-membered rings

    Krivdin, L. B., Sauer, Stephan P. A., Peralta, J. E. & Contreras, R. H., 2002, In: Magnetic Resonance in Chemistry. 40, 3, p. 187-194

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

  3. 2003
  4. Published

    Correlated and gauge invariant calculations of nuclear magnetic shielding constants using the continuous transformation of the origin of the current density approach

    Ligabue, A., Sauer, Stephan P. A. & Lazzeretti, P., 2003, In: Journal of Chemical Physics. 118, p. 6830-6845

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

  5. Published

    Response theory in the multipole reaction field model for equilibrium and nonequilibrium solvation: Exact theory and the second order polarization propagator approximation

    Nielsen, C. B., Sauer, Stephan P. A. & Mikkelsen, Kurt Valentin, 2003, In: Journal of Chemical Physics. 119, p. 3849-3870

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

  6. Published

    Special Issue on Nuclear Magnetic Resonance Spin-Spin Coupling Constants-Calculations and Measurements

    Sauer, Stephan P. A., 2003, In: International Journal of Molecular Sciences. 4, 3, p. 62-63

    Research output: Contribution to journal › Editorial › Research

  7. Published

    Substituent Effects on Scalar 2J(19F,19F) and 3J(19F,19F)NMR Couplings: A Comparison of SOPPA and DFT Methods

    Barone, V., Provasi, P. F., Peralta, J. E., Snyder, J. P., Sauer, Stephan P. A. & Contreras, R. H., 2003, In: Journal of Physical Chemistry A. 107, 23, p. 4748-4754

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

  8. Published

    The Effect of Substituents on Indirect Nuclear Spin-Spin Coupling Constants: Methan- and Ethanimine, Methanal- and Ethanaloxime

    Provasi, P. F., Aucar, G. A. & Sauer, Stephan P. A., 2003, In: International Journal of Molecular Sciences. 4, 4, p. 231-248

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

  9. 2004
  10. Published

    First principle calculations of 113Cd chemical shifts for proteins and model systems

    Hemmingsen, Lars Bo Stegeager, Olsen, L., Antony, J. & Sauer, Stephan P. A., 2004, In: Journal of Biological Inorganic Chemistry. 9, 5, p. 591-599

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

  11. Published

    Large Long-Range F-F Indirect Spin-Spin Coupling Constants. Prediction of Measurable F-F Couplings over a Few Nanometers

    Provasi, P. F., Aucar, G. A. & Sauer, Stephan P. A., 2004, In: Journal of Physical Chemistry A. 108, 25, p. 5393-5398

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

  12. Published

    Non-empirical calculations of NMR indirect carbon-carbon coupling constants. Part 8 - Monocycloalkanes

    Sauer, Stephan P. A. & Krivdin, L. B., 2004, In: Magnetic Resonance in Chemistry. 42, 8, p. 671-686

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

  13. 2005
  14. Published

    Analysis of pure rotational and vibration-rotational spectra of NaCl X 1S+ and quantum-chemical calculation of related molecular properties

    Ogilvie, J. F., Jensen, H. J. A. & Sauer, Stephan P. A., 2005, In: Journal of the Chinese Chemical Society. 52, 4, p. 631-639

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

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