Stephan P. A. Sauer
Professor
Department of Chemistry
Universitetsparken 5
2100 København Ø
Second-order polarization propagator calculations of dynamic dipole polarizabilities and C6 coefficients
Sauer, Stephan P. A., Diercksen, G. H. F. & Oddershede, J., 1991, In: International Journal of Quantum Chemistry. 39, 5, p. 667-679Research output: Contribution to journal › Journal article › Research › peer-review
- Published
Second-order polarization propagator approximation with coupled-cluster singles and doubles amplitudes - SOPPA(CCSD): the polarizability and hyperpolarizability of Li-
Sauer, Stephan P. A., 1997, In: Journal of Physics B: Atomic, Molecular and Optical Physics. 30, 17, p. 3773-3780Research output: Contribution to journal › Journal article › Research › peer-review
- 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
- 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
- Published
Rotational g-factor and spin-rotation constant of CH+
Sauer, Stephan P. A., 2010, In: Journal of Chemical Physics. 133, 17, p. 171101 4 p.Research output: Contribution to journal › Journal article › Research › peer-review
- Published
Response theory in the multipole reaction field model for equilibrium and nonequilibrium solvation: Exact theory and the second order polarization propagator approximation
Nielsen, C. B., Sauer, Stephan P. A. & Mikkelsen, Kurt Valentin, 2003, In: Journal of Chemical Physics. 119, p. 3849-3870Research output: Contribution to journal › Journal article › Research › peer-review
- Published
Relativistic effects in NMR properties of L[RuCPt] complexes: ZORA versus four-component calculations
Glent-Madsen, I., Bendix, Jesper & Sauer, Stephan P. A., 19 Aug 2019.Research output: Contribution to conference › Poster › Research
- Published
Relativistic calculations of the rotational g factor of the hydrogen halides and noble gas hydride cations
Enevoldsen, T., Rasmussen, T. & Sauer, Stephan P. A., 2001, In: Journal of Chemical Physics. 114, 1, p. 84-88Research output: Contribution to journal › Journal article › Research › peer-review
- Published
Relativistic DFT calculations of hyperfine coupling constants in the 5d hexafluorido complexes: [ReF6]2- and [IrF6]2-
Haase, P. A. B., Repisky, M., Komorovsky, S., Bendix, Jesper & Sauer, Stephan P. A., 2018, In: Chemistry: A European Journal. 24, 20, p. 5124-5133 11 p.Research output: Contribution to journal › Journal article › Research › peer-review
- Published
Relation between properties of long-range diatomic bound states
Spirko, V., Sauer, Stephan P. A. & Szalewicz, K., 2013, In: Physical Review A (Atomic, Molecular and Optical Physics). 87, 1, 6 p., 012510.Research output: Contribution to journal › Journal article › Research › peer-review
ID: 9770
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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
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348
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Solution manual to molecular electromagnetism: a computational chemistry approach
Research output: Book/Report › Book › Research › peer-review
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293
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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