Stephan P. A. Sauer
Professor
Department of Chemistry
Universitetsparken 5
2100 København Ø
- 1995
Magnetic Properties of Molecules
Oddershede, J. & Sauer, Stephan P. A., 1995, Winter School in Theoretical Chemistry : Calculation of NMR Parameters. Pyykkö, P. & Sundholm, D. (eds.). University of HelsinkiResearch output: Chapter in Book/Report/Conference proceeding › Book chapter › Research
- 1996
Theoretical Estimate of the Rotational g-Factor, Magnetizability and Electric Dipole Moment of GaH
Sauer, Stephan P. A., 1996, In: Chemical Physics Letters. 260, 1-2, p. 271-279Research output: Contribution to journal › Journal article › Research › peer-review
- 1997
- Published
Calculation, with the inclusion of vibrational corrections, of the dc-electrifield-induced second-harmonic-generation hyperpolarizability of methane
Bishop, D. M. & Sauer, Stephan P. A., 1997, In: Journal of Chemical Physics. 107, 20, p. 8503-8509Research 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
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
- Published
The vibrational dependence of the hydrogen and oxygen nuclear magnetic shielding constants in OH- and OH- . H2O
Sauer, Stephan P. A., Spirko, V., Paidarová, I. & Kraemer, W. P., 1997, In: Chemical Physics. 214, 1, p. 91-102Research output: Contribution to journal › Journal article › Research › peer-review
- Published
Theoretical calculations of the hyperfine structure in spectra of H3+ and its deuterated isotopomers
Jensen, P., Paidarová, I., Spirko, V. & Sauer, Stephan P. A., 1997, In: Molecular Physics. 91, 2, p. 319-332Research output: Contribution to journal › Journal article › Research › peer-review
- 1998
- 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
- Published
A second-order doubles correction to excitation energies in the random-phase approximation
Christiansen, O., Bak, K. L., Koch, H. & Sauer, Stephan P. A., 1998, In: Chemical Physics Letters. 284, 1-2, p. 47-55 9 p.Research output: Contribution to journal › Journal article › Research › peer-review
- Published
Calculated spin-spin coupling surfaces in the water molecule: prediction and analysis of J(O,H), J(O, D) and J(H, D) in water isotopomers
Wigglesworth, R. D., Raynes, W. T., Sauer, Stephan P. A. & Oddershede, J., 1998, In: Molecular Physics. 94, 5, p. 851-862Research 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
Published -
344
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Solution manual to molecular electromagnetism: a computational chemistry approach
Research output: Book/Report › Book › Research › peer-review
Published -
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