Stephan P. A. Sauer
Professor
Department of Chemistry
Universitetsparken 5
2100 København Ø
- Published
The effect of lone pairs and electronegativity on the indirect nuclear spin-spin coupling constants in CH2X (X=CH2, NH, O, S): Ab initio calculations using optimized contracted basis sets
Provasi, P. F., Aucar, G. A. & Sauer, Stephan P. A., 2001, In: Journal of Chemical Physics. 115, 3, p. 1324-1334Research output: Contribution to journal › Journal article › Research › peer-review
- Published
The coupling constant polarizability and hyperpolarizabilty of 1J(NH) in N-methylacetamide, and its application for the multipole spin–spin coupling constant polarizability/reaction field approach to solvation
Kjær, H., Sauer, Stephan P. A. & Kongsted, J., 26 Aug 2011, In: Journal of Computational Chemistry. 32, 15, p. 3168-3174 7 p.Research output: Contribution to journal › Journal article › Research › peer-review
- Published
The computation of Karplus equation coefficients and their components using self-consistent field and second-order polarization propagator methods
Grayson, M. & Sauer, Stephan P. A., 2000, In: Molecular Physics. 23, 10, p. 1981-1990Research output: Contribution to journal › Journal article › Research › peer-review
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The calculation and analysis of isotope effects on the nuclear spin-spin coupling constants of methane at various temperatures
Wigglesworth, R. D., Raynes, W. T., Sauer, Stephan P. A. & Oddershede, J., 1997, In: Molecular Physics. 92, 1, p. 77-88Research output: Contribution to journal › Journal article › Research › peer-review
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The aug-cc-pVTZ-J basis set for the p-block fourth-row elements Ga, Ge, As, Se and Br
Svendsen, C. S. & Sauer, Stephan P. A., 4 Oct 2021, In: Magnetic Resonance in Chemistry. 59, 11, p. 1134-1145 12 p.Research output: Contribution to journal › Journal article › Research › peer-review
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The ab initio calculation of molecular properties: Lecture Notes for the 2. MERCOSUR Summerschool on Molecular Physics, Universidad National del Nordeste, Corrientes
Sauer, Stephan P. A., 2 Feb 2000Research output: Book/Report › Compendium/lecture notes › Education
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The ab initio calculation of molecular properties: Lecture Notes for the 1. MERCOSUR Summerschool on Molecular Physics, Universidad National del Nordeste, Corrientes
Sauer, Stephan P. A., 11 Feb 1999Research output: Book/Report › Compendium/lecture notes › Education
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The ab initio calculation of molecular properties: Lecture Notes for the 3. MERCOSUR Summerschool on Molecular Physics, Universidad National del Nordeste, Corrientes
Sauer, Stephan P. A., Jul 2001Research output: Book/Report › Compendium/lecture notes › Education
The Vibrational and Temperature Dependence of the Magnetic Properties of the Oxonium Ion (H3O+)
Sauer, Stephan P. A., Spirko, V., Paidarová, I. & Oddershede, J., 1994, In: Chemical Physics. 184, p. 1-11Research output: Contribution to journal › Journal article › Research › peer-review
- Published
The Second-Order-Polarization-Propagator Approximation SOPPA in a Four Component Spinor Basis
Schnack-Petersen, A. K., Simmermacher, M., Fasshauer, E., Jensen, H. J. A. & Sauer, Stephan P. A., 2020, In: The Journal of Chemical Physics. 152, 16 p., 134113.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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346
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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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290
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Dalton Project: A Python platform for molecular- and electronic-structure simulations of complex systems
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