Stephan P. A. Sauer

Stephan P. A. Sauer

Professor

ORCID: 0000-0003-4812-0522

Publication year:
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1 - 6 out of 6Page size: 10
  1. 2009
  2. Published

    Analysis of Isotope Effects in NMR One-bond Indirect Nuclear Spin-spin Coupling Constants in Terms of Localized Molecular Orbitals

    Provasi, P. F. & Sauer, Stephan P. A., 2009, In: Physical Chemistry Chemical Physics. 11, p. 3987-3995

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

  3. Published

    Benchmarks for Electronically Excited States: A Comparison of Noniterative and Iterative Triples Corrections in Linear Response Coupled Cluster Methods - CCSDR(3) versus CC3

    Sauer, Stephan P. A., Schreiber, M., Silva-Junior, M. R. & Thiel, W., 2009, In: Journal of Chemical Theory and Computation. 5, 3, p. 555-564

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

  4. Published

    On the Relation between the Non-adiabatic Vibrational Reduced Mass and the Electric Dipole Moment Gradient of a Diatomic Molecule

    Kjær, H. & Sauer, Stephan P. A., 2009, In: Theoretical Chemistry Accounts. 122, 3-4, p. 137-134

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

  5. Published

    Prediction of Spin-Spin Coupling Constants in Solution based on Combined Density Functional Theory/Molecular Mechanics

    Møgelhøj, A., Aidas, K., Mikkelsen, Kurt Valentin, Sauer, Stephan P. A. & Kongsted, J., 2009, In: Journal of Chemical Physics. 130, 13, p. 134508 12 p.

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

  6. Published

    Partial Charges as Reactivity Descriptors for Nitrido Complexes

    Hedegård, E. D., Bendix, Jesper & Sauer, Stephan P. A., 3 Jul 2009, In: Journal of Molecular Structure: THEOCHEM. 913, p. 1-7

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

  7. Published

    Benchmarking Second Order Methods for the Calculation of Vertical Electronic Excitation Energies: Valence and Rydberg States in Polycyclic Aromatic Hydrocarbons

    Falden, H. H., Falster-Hansen, K. R., Bak, K. L., Rettrup, S. & Sauer, Stephan P. A., 25 Sep 2009, In: Journal of Physical Chemistry A. 113, p. 11995 12012 p.

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

ID: 9770