Stephan P. A. Sauer
Professor
Department of Chemistry
Universitetsparken 5
2100 København Ø
- 2005
- Published
Analysis of pure rotational and vibration-rotational spectra of NaCl X 1S+ and quantum-chemical calculation of related molecular properties
Ogilvie, J. F., Jensen, H. J. A. & Sauer, Stephan P. A., 2005, In: Journal of the Chinese Chemical Society. 52, 4, p. 631-639Research output: Contribution to journal › Journal article › Research › peer-review
- Published
Calculations of Dipole and Quadrupole Polarizability Radial Functions for LiH and HF: A Comparison of Different Linear Response Methods
Paidarová, I. & Sauer, Stephan P. A., 2005, In: Advances in Quantum Chemistry. 48, p. 185-208Research output: Contribution to journal › Journal article › Research › peer-review
- Published
Interaction energies and NMR indirect nuclear spin-spin coupling constants in linear HCN and HNC complexes
Provasi, P. F., Aucar, G. A., Sanchez, M., Alkorta, I., Elguero, J. & Sauer, Stephan P. A., 2005, In: Journal of Physical Chemistry A. 109, 29, p. 6555-6564Research output: Contribution to journal › Journal article › Research › peer-review
- Published
On the Usage of Locally Dense Basis Sets in the Calculation of NMR Indirect Nuclear Spin-Spin Coupling Constants: Vicinal Fluorine-Fluorine Couplings
Sanchez, M., Provasi, P. F., Aucar, G. A. & Sauer, Stephan P. A., 2005, In: Advances in Quantum Chemistry. 48, p. 161-183Research output: Contribution to journal › Journal article › Research › peer-review
- Published
Quantum-Chemical Calculations of Radial Functions for Rotational and Vibrational g Factors, Electric Dipolar Moment and Adiabatic Corrections to the Potential Energy for Analysis of Spectra of HeH+
Sauer, Stephan P. A., Jensen, H. J. A. & Ogilvie, J. F., 2005, In: Advances in Quantum Chemistry. 48, p. 319-334Research output: Contribution to journal › Journal article › Research › peer-review
- Published
The Rotational g Tensor of HF, H2O, NH3, and CH4: A Comparison of Correlated Ab Initio Methods
Sauer, Stephan P. A., 2005, In: Advances in Quantum Chemistry. 48, p. 469-490Research output: Contribution to journal › Journal article › Research › peer-review
- Published
The vibrational g-factor of dihydrogen from theoretical calculation and analysis of vibration-rotational spectra
Bak, K. L., Sauer, Stephan P. A., Oddershede, J. & Ogilvie, J. F., 2005, In: Physical Chemistry Chemical Physics. 7, p. 1747-1758Research output: Contribution to journal › Journal article › Research › peer-review
ID: 9770
Most downloads
-
1215
downloads
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
downloads
Solution manual to molecular electromagnetism: a computational chemistry approach
Research output: Book/Report › Book › Research › peer-review
Published -
283
downloads
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