Stephan P. A. Sauer
Professor
Department of Chemistry
Universitetsparken 5
2100 København Ø
- Published
13C NMR Chemical Shifts of Saccharides in the Solid State: A Density Functional Theory Study
Moustafa, H., Larsen, F. H., Madsen, Anders Østergaard & Sauer, Stephan P. A., 2023, In: Magnetochemistry. 9, 8, 15 p., 192.Research output: Contribution to journal › Journal article › Research › peer-review
- Published
A Combined Experimental and Theoretical Study of ESR Hyperfine Coupling Constants for N,N,N’,N’-Tetrasubstituted p-Phenylenediamine Radical Cations
Gleeson, R., Andersen, C. L., Rapta, P., Machata, P., Christensen, Jørn Bolstad, Hammerich, Ole & Sauer, Stephan P. A., 8 Feb 2023, In: International Journal of Molecular Sciences (Online). 24, 4, 17 p., 3447.Research output: Contribution to journal › Journal article › Research › peer-review
- Published
A Density Functional Theory Study of Optical Rotation in some Aziridine and Oxirane derivatives
Galeano Carrano, R. S., Provasi, P. F., Ferraro, M. B., Alkorta, I., Elguero, J. & Sauer, Stephan P. A., 21 Apr 2021, In: ChemPhysChem. 22, 8, p. 764-774 11 p.Research output: Contribution to journal › Journal article › Research › peer-review
- Published
A QM/MM study of the conformation stability and electronic structure of the photochromic switches derivatives of DHA/VHF in acetonitrile solution
Cardenuto, M. H., Cezar, H. M., Mikkelsen, Kurt Valentin, Sauer, Stephan P. A., Coutinho, K. & Canuto, S., 2021, In: Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy. 251, 9 p., 119434.Research output: Contribution to journal › Journal article › Research › peer-review
- Published
A Tale of Two Vectors: A Lanczos Algorithm For Calculating RPA Mean Excitation Energies
Zamok, L., Coriani, S. & Sauer, Stephan P. A., 3 Jan 2022, In: The Journal of Chemical Physics. 156, 1, 16 p., 014102.Research output: Contribution to journal › Journal article › Research › peer-review
- Published
A comparison of Møller-Plesset and coupled cluster linear response theory methods for the calculation of dipole oscillator strength sum rules and C6 dispersion coefficients
Paidarová, I. & Sauer, Stephan P. A., 2008, In: Collection of Czechoslovak Chemical Communications. 73, 11, p. 1415-1436Research output: Contribution to journal › Journal article › Research › peer-review
- Published
A comparison of density functional theory and coupled cluster methods for the calculation of electric dipole polarizability gradients of methane
Paidarová, I. & Sauer, Stephan P. A., 2012, In: A I P Conference Proceedings. 1504, p. 695-698 4 p.Research output: Contribution to journal › Conference article › Research › peer-review
- Published
A multipole second order Møller-Plesset solvent reaction field method
Nielsen, C. B., Mikkelsen, Kurt Valentin & Sauer, Stephan P. A., 2001, In: Journal of Chemical Physics. 114, p. 7753-7760 8 p.Research output: Contribution to journal › Journal article › Research › peer-review
- Published
A physical model of the proton radiation belts of Jupiter inside Europa’s orbit
Nénon, Q., Sicard, A., Kollmann, P., Garrett, H. B., Sauer, Stephan P. A. & Paranicas, C., 2018, In: Journal of Geophysical Research: Space Physics. 123, 5, p. 3512-3532 21 p.Research output: Contribution to journal › Journal article › Research › peer-review
- Published
A relation between the rotational g-factor and the electric dipole moment of a diatomic molecule
Sauer, Stephan P. A., 1998, In: Chemical Physics Letters. 297, 5-6, p. 475-483Research 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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344
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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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277
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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