Scientific staff – University of Copenhagen

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Stephan P. A. Sauer

Stephan P. A. Sauer

Professor with special responsibilities

Primary fields of research

Research field:

Quantum and Computational Chemistry with special emphasis on Computational Spectroscopy (UV/Vis, ESR/EPR, NMR)

See my personal home page for

Current research

Teaching

 

Teaching:

See my personal home page for

Selected publications

  1. Published

    Molecular Electromagnetism: A Computational Chemistry Approach

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

    Research output: Book/ReportBookEducation

  2. Published

    The Dalton quantum chemistry program system

    Aidas, K., Angeli, C., Bak, K. L., Bakken, V., Bast, R., Boman, L., Christiansen, O., Cimiraglia, R., Coriani, S., Dahle, P., Dalskov, E. K., Ekström, U., Enevoldsen, T., Eriksen, J. J., Ettenhuber, P., Fernández, B., Ferrighi, L., Fliegl, H., Frediani, L., Hald, K., Halkier, A., Hättig, C., Heiberg, H., Helgaker, T., Hennum, A. C., Hettema, H., Hjertenæs, E., Høst, S., Høyvik, I-M., Iozzi, M. F., Jansik, B., Jensen, H. J. A., Jonsson, D., Jørgensen, P., Kauczor, J., Kirpekar, S., Kjærgaard, T., Klopper, W., Knecht, S., Kobayashi, R., Koch, H., Kongsted, J., Krapp, A., Kristensen, K., Ligabue, A., Lutnæs, O. B., Melo, J. I., Mikkelsen, K. V., Myhre, R. H., Neiss, C., Nielsen, C. B., Norman, P., Olsen, J., Olsen, J. M. H., Osted, A., Packer, M. J., Pawlowski, F., Pedersen, T. B., Provasi, P. F., Reine, S., Rinkevicius, Z., Ruden, T. A., Ruud, K., Rybkin, V., Salek, P., Samson, C. C. M., Sánchez de Merás, A., Saue, T., Sauer, S. P. A., Schimmelpfennig, B., Sneskov, K., Steindal, A. H., Sylvester–Hvid, K. O., Taylor, P. R., Teale, A. M., Tellgren, E. I., Tew, D. P., Thorvaldsen, A. J., Thøgersen, L., Vahtras, O., Watson, M. A., Wilson, D. J. D., Ziolkowski, M. & Ågren, H. 2014 In : Wiley Interdisciplinary Reviews: Computational Molecular Science. 4, 3, p. 269-284 16 p.

    Research output: Contribution to journalJournal articleResearchpeer-review

  3. Published

    Benchmarks for electronically excited states: CASPT2, CC2, CCSD, and CC3

    Schreiber, M., Silva-Junior, M. R., Sauer, S. P. A. & Thiel, W. 2008 In : Journal of Chemical Physics. 128, 13, p. 134110/1-25 25 p.

    Research output: Contribution to journalJournal articleResearchpeer-review

  4. Published

    Benchmarks for electronically excited states: Time-dependent density functional theory and density functional theory based multireference configuration interaction

    Silva-Junior, M. R., Schreiber, M., Sauer, S. P. A. & Thiel, W. 2008 In : Journal of Chemical Physics. 129, 10, p. 104103 14 p.

    Research output: Contribution to journalJournal articleResearchpeer-review

  5. Published

    Importance of triples contributions to NMR spin-spin coupling constants computed at the CC3 and CCSDT levels

    Faber, R., Sauer, S. P. A. & Gauss, J. 14 Feb 2017 In : Journal of Chemical Theory and Computation. 13, 2, p. 696-709 14 p.

    Research output: Contribution to journalJournal articleResearchpeer-review

  6. 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, S. P. A. 2015 In : Chemistry: A European Journal. 21, 49, p. 17786–17799 14 p.

    Research output: Contribution to journalJournal articleResearchpeer-review

  7. Published

    Rovibrational and temperature effects in theoretical studies of NMR parameters

    Faber, R., Kaminsky, J. & Sauer, S. P. A. 2016 Gas Phase NMR. Jackowski, K. & Jaszuński, M. (eds.). Royal Society of Chemistry, p. 218-266 49 p. (New Developments in NMR, Vol. 6).

    Research output: Chapter in Book/Report/Conference proceedingBook chapterResearchpeer-review

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  1. Årets underviser ved SCIENCE 2014

    Stephan P. A. Sauer (Recipient), 2014

    Prize: Prizes, scholarships, distinctions

  2. Professor of the Year 2018

    Stephan P. A. Sauer (Recipient), 18 May 2018

    Prize: Prizes, scholarships, distinctions

ID: 9770