Stephan P. A. Sauer

Stephan P. A. Sauer

Professor

ORCID: 0000-0003-4812-0522

Publication year:
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1 - 10 out of 10Page size: 10
  1. 2015
  2. Published

    Anion binding by biotin[6]uril in water

    Lisbjerg, M., Nielsen, B. E., Milhøj, B. O., Sauer, Stephan P. A. & Pittelkow, Michael, 2015, In: Organic & Biomolecular Chemistry. 13, 2, p. 369-373 5 p.

    Research output: Contribution to journal › Letter › Research › peer-review

  3. Published

    Exploring the relationship between the conformation and pKa: can a pKa value be used to determine the conformational equilibrium?

    Olsen, J. I., Sauer, Stephan P. A., Pedersen, Christian Marcus & Bols, Mikael, 2015, In: Organic & Biomolecular Chemistry. 13, 10, p. 3116-3121 6 p.

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

  4. Published

    Insight into the mechanism of the initial reaction of a OH-radical with DNA/RNA nucleobases: a computational investigation of radiation damage

    Milhøj, B. O. & Sauer, Stephan P. A., 2015, In: Chemistry: A European Journal. 21, 49, p. 17786–17799 14 p.

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

  5. Published

    Kinetics and thermodynamics of the reaction between the •OH radical and adenine – a theoretical investigation

    Milhøj, B. O. & Sauer, Stephan P. A., 2015, In: Journal of Physical Chemistry Part A: Molecules, Spectroscopy, Kinetics, Environment and General Theory. 119, 24, p. 6516–6527 12 p.

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

  6. Published

    Molecular modeling and experimental studies on structure and NMR parameters of 9-benzyl-3,6-diiodo-9H-carbazole

    Radula-Janik, K., Kupka, T., Ejsmont, K., Daszkiewicz, Z. & Sauer, Stephan P. A., 2015, In: Structural Chemistry. 26, 4, p. 997-1006 10 p.

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

  7. Published

    On the truncation of the number of excited states in density functional theory sum-over-states calculations of indirect spin spin coupling constants

    Zarycz, M. N. C., Provasi, P. F. & Sauer, Stephan P. A., 2015, In: The Journal of Chemical Physics. 143, 24, 12 p., 244107.

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

  8. Published

    Performance of SOPPA-based methods in the calculation of vertical excitation energies and oscillator strengths

    Sauer, Stephan P. A., Pitzner-Frydendahl, H. F., Buse, M., Jensen, H. J. A. & Thiel, W., 2015, In: Molecular Physics. 113, 13-14, p. 2026–2045 20 p.

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

  9. Published

    SOPPA and CCSD vibrational corrections to NMR indirect spin-spin coupling constants of small hydrocarbons

    Faber, R. & Sauer, Stephan P. A., 2015, In: AIP Conference Proceedings. 1702, 6 p., 090035.

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

  10. Published

    Solution manual to molecular electromagnetism: a computational chemistry approach

    Sauer, Stephan P. A., Faber, R., List, N. H., Mackeprang, K., Wahlberg, N. & Simmermacher, M., 2015, Oxford: Oxford University Press. 93 p.

    Research output: Book/Report › Book › Research › peer-review

  11. Published

    The mean excitation energy of atomic ions

    Sauer, Stephan P. A., Oddershede, J. & Sabin, J. R., 2015, Concepts of mathematical physics in chemistry: a tribute to Frank E. Harris - part A. Sabin, J. R. & Cabrera-Trujillo, R. (eds.). Elsevier, p. 29-40 12 p. (Advances in Quantum Chemistry, Vol. 71).

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

ID: 9770