Stephan P. A. Sauer
Professor
Department of Chemistry
Universitetsparken 5
2100 København Ø
Primary fields of research
See the homepage of my research group
Current research
See the homepage of my research group
Teaching
See the homepage of my research group
Selected publications
- Published
Molecular Electromagnetism: A Computational Chemistry Approach
Sauer, Stephan P. A., Aug 2011, Oxford: Oxford University Press. 320 p.Research output: Book/Report › Book › Education
- 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. & 64 others, , 2014, In: Wiley Interdisciplinary Reviews: Computational Molecular Science. 4, 3, p. 269-284 16 p.Research output: Contribution to journal › Journal article › Research › peer-review
- Published
Benchmarks for electronically excited states: CASPT2, CC2, CCSD, and CC3
Schreiber, M., Silva-Junior, M. R., Sauer, Stephan P. A. & Thiel, W., 2008, In: Journal of Chemical Physics. 128, 13, p. 134110/1-25 25 p.Research output: Contribution to journal › Journal article › Research › peer-review
- 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, Stephan P. A. & Thiel, W., 2008, In: Journal of Chemical Physics. 129, 10, p. 104103 14 p.Research output: Contribution to journal › Journal article › Research › peer-review
- Published
Importance of triples contributions to NMR spin-spin coupling constants computed at the CC3 and CCSDT levels
Faber, R., Sauer, Stephan 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 journal › Journal article › Research › peer-review
- 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
- Published
Rovibrational and temperature effects in theoretical studies of NMR parameters
Faber, R., Kaminsky, J. & Sauer, Stephan 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 proceeding › Book chapter › Research › peer-review
Selected prizes
Årets underviser ved SCIENCE 2014
Sauer, Stephan P. A. (Recipient), 2014
Prize: Prizes, scholarships, distinctions
Professor of the Year 2018
Sauer, Stephan P. A. (Recipient), 18 May 2018
Prize: Prizes, scholarships, distinctions
Professor of the Year 2022
Sauer, Stephan P. A. (Recipient), 3 Jun 2022
Prize: Prizes, scholarships, distinctions
ID: 9770
Most downloads
-
1250
downloads
Molecular modeling and experimental studies on structure and NMR parameters of 9-benzyl-3,6-diiodo-9H-carbazole
Research output: Contribution to journal › Journal article › Research › peer-review
Published -
354
downloads
Solution manual to molecular electromagnetism: a computational chemistry approach
Research output: Book/Report › Book › Research › peer-review
Published -
312
downloads
Dalton Project: A Python platform for molecular- and electronic-structure simulations of complex systems
Research output: Contribution to journal › Journal article › Research › peer-review
Published