Stephan P. A. Sauer
Professor
Department of Chemistry
Universitetsparken 5
2100 København Ø
- 2011
- Published
Calculated rotational and vibrational g factors of LiH X 1S+ and evaluation of parameters in radial functions from rotational and vibration-rotational spectra
Sauer, Stephan P. A., Paidarová, I., Oddershede, J., Bak, K. L. & Ogilvie, J. F., 15 Mar 2011, In: International Journal of Quantum Chemistry. 111, 4, p. 736-752Research output: Contribution to journal › Journal article › Research › peer-review
- Published
David M. Bishop Curriculum Vitae
Sauer, Stephan P. A., 15 Mar 2011, In: International Journal of Quantum Chemistry. 111, 4, p. 725Research output: Contribution to journal › Journal article › Research
- Published
From CCSD(T)/aug-cc-pVTZ-J to CCSD(T) Complete Basis Set Limit Isotropic Nuclear Magnetic Shieldings via affordable DFT/CBS Calculations
Kupka, T., Stachow, M., Nieradka, M., Kaminsky, J., Pluta, T. & Sauer, Stephan P. A., 9 Mar 2011, In: Magnetic Resonance in Chemistry. 49, 4, p. 231-236Research output: Contribution to journal › Journal article › Research › peer-review
- Published
Benchmarking the multipole shielding polarizability / reaction field approach to solvation against QM/MM. Applications to the shielding constants of N-methylacetamide
Kjær, H., Sauer, Stephan P. A. & Kongsted, J., 25 Jan 2011, In: Journal of Chemical Physics. 134, 4, p. 044514 11 p.Research output: Contribution to journal › Journal article › Research › peer-review
- Published
Benchmarking SOPPA(CC2) for the calculation of indirect nuclear spin spin coupling constants: Carbocycles
Kjær, H., Sauer, Stephan P. A., Kongsted, J., Rusakov, Y. Y. & Krivdin, L. B., 18 Jan 2011, In: Chemical Physics. 381, p. 35 43 p.Research output: Contribution to journal › Journal article › Research › peer-review
- Published
David M. Bishop: esteemed colleague and dear friend
Sauer, Stephan P. A., 2011, In: International Journal of Quantum Chemistry. 111, 4, p. 723-724Research output: Contribution to journal › Editorial › Research
- Published
Nuclear magnetic resonance shielding constants and chemical shifts in linear 199Hg compounds: a comparison of three relativistic computational methods
Arcisauskaité, V., Melo, J. I., Hemmingsen, Lars Bo Stegeager & Sauer, Stephan P. A., 2011, In: Journal of Chemical Physics. 135, 044306, 11 p.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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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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278
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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