Stephan P. A. Sauer

Stephan P. A. Sauer

Professor

ORCID: 0000-0003-4812-0522

Publication year:
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131 - 140 out of 260Page size: 10
  1. 2012
  2. Published

    Estimating the carbonyl anharmonic vibrational frequency from affordable harmonic frequency calculations

    Buczek, A., Kupka, T., Sauer, Stephan P. A. & Broda, M. A., 2012, In: Journal of Molecular Modeling. 18, 6, p. 2471-2478 8 p.

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

  3. Published

    Fully relativistic coupled cluster and DFT study of electric field gradients at Hg in 199Hg compounds

    Arcisauskaité, V., Knecht, S., Sauer, Stephan P. A. & Hemmingsen, Lars Bo Stegeager, 2012, In: Physical Chemistry Chemical Physics. 14, 8, p. 2651-2657

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

  4. Published

    Improving the calculation of electron paramagnetic resonance hyperfine coupling tensors for d-block metals

    Hedegård, E. D., Kongsted, J. & Sauer, Stephan P. A., 2012, In: Physical Chemistry Chemical Physics. 14, 30, p. 10669-10676 8 p.

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

  5. Published

    Nuclear magnetic resonance J coupling constant polarizabilities of hydrogen peroxide: a basis set and correlation study

    Kjær, H., Nielsen, M. R., Pagola, G. I., Ferraro, M. B., Lazzeretti, P. & Sauer, Stephan P. A., 2012, In: Journal of Computational Chemistry. 33, 23, p. 1845-1853 9 p.

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

  6. Published

    On the discrepancy between theory and experiment for the F-F spin-spin coupling constant of difluoethyne

    Faber, R. & Sauer, Stephan P. A., 2012, In: Physical Chemistry Chemical Physics. 14, 47, p. 16440-16447 8 p.

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

  7. Published

    On the importance of excited state dynamic response electron correlation in polarizable embedding methods

    Eriksen, J. J., Sauer, Stephan P. A., Mikkelsen, Kurt Valentin, Jensen, H. J. A. & Kongsted, J., 2012, In: Journal of Computational Chemistry. 33, 25, p. 2012-2022 11 p.

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

  8. Published

    Symmetry, vibrational energy redistribution and vibronic coupling: the internal conversion processes of cycloketones

    Kuhlman, T. S., Sauer, Stephan P. A., Sølling, Theis Ivan & Møller, K. B., 2012, In: Journal of Chemical Physics. 137, 22, 9 p.

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

  9. Published

    Theory and calculation of stopping cross sections of nucleobases for swift ions

    Sauer, Stephan P. A., Oddershede, J. & Sabin, J. R., 2012, Radiation damage in biomolecular systems: biological and medical physics, biomedical engineering. Gómez-Tejedor, G. G. & Fuss, M. C. (eds.). Springer Science+Business Media, p. 191-200 10 p.

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

  10. Published

    Theoretical Study of the Triplet Excited State of PtPOP and the Exciplexes M-PtPOP (M=Tl, Ag) in Solution and Comparison with Ultrafast X-ray Scattering Results

    Kong, Q., Kjær, K. S., Haldrup, K., Sauer, Stephan P. A., Brandt van Driel, T., Christensen, M., Nielsen, M. M. & Wulff, M., 17 Jan 2012, In: Chemical Physics. 393, 1, p. 117–122

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

  11. 2013
  12. Published

    Effective potential energy curves of the ground electronic state of CH+

    Sauer, Stephan P. A. & Spirko, V., 2013, In: Journal of Chemical Physics. 138, 2, 9 p., 024315.

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

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