Stephan P. A. Sauer
Professor
Department of Chemistry
Universitetsparken 5
2100 København Ø
- 1998
- Published
Correlated calculations of indirect nuclear spin-spin coupling constants using second-order polarization propagator approximations: SOPPA and SOPPA(CCSD)
Enevoldsen, T., Oddershede, J. & Sauer, Stephan P. A., 1998, In: Theoretical Chemistry Accounts. 100, 5-6, p. 275-284Research output: Contribution to journal › Journal article › Research › peer-review
- Published
Correlated, Static and Dynamic Polarizabilities of Small Molecules. Comparison of Four "Black Box" Methods
Dalskov, E. K. & Sauer, Stephan P. A., 1998, In: Journal of Physical Chemistry A. 102, 27, p. 5269-5274Research output: Contribution to journal › Journal article › Research › peer-review
- Published
The vibrational and temperature dependence of the indirect nuclear spin-spin coupling constants of the oxonium (H3O+) and hydroxyl (OH-) ions
Sauer, Stephan P. A., Møller, C. K., Koch, H., Paidarová, I. & Spirko, V., 1998, In: Chemical Physics. 238, 3, p. 385-399Research output: Contribution to journal › Journal article › Research › peer-review
- 1999
- Published
Calculated nuclear shielding surfaces in the water molecule: prediction and analysis of s(O), s(H) and s(D) in water isotopomers
Wigglesworth, R. D., Raynes, W. T., Sauer, Stephan P. A. & Oddershede, J., 1999, In: Molecular Physics. 96, 11, p. 1595-1607Research output: Contribution to journal › Journal article › Research › peer-review
- Published
Calculations of the indirect nuclear spin-spin coupling constants of PbH4
Kirpekar, S. & Sauer, Stephan P. A., 1999, In: Theoretical Chemistry Accounts. 103, 2, p. 146-153Research output: Contribution to journal › Journal article › Research › peer-review
- Published
The Bethe Sum Rule and Basis Set Selection in the Calculation of Generalized Oscillator Strengths
Cabrera-Trujillo, R., Sabin, J. R., Oddershede, J. & Sauer, Stephan P. A., 1999, In: Advances in Quantum Chemistry. 35, p. 175-192Research output: Contribution to journal › Journal article › Research › peer-review
- Published
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
- 2000
- Published
Ab Initio Calculation of the Electronic Spectrum of Azobenzene Dyes and Its Impact on the Design of Optical Data Storage Materials
Åstrand, P., Ramanujam, P. S., Hvilsted, S., Bak, K. L. & Sauer, Stephan P. A., 2000, In: Journal of the American Chemical Society. 122, 14, p. 3482-3487Research output: Contribution to journal › Journal article › Research › peer-review
- Published
Atomic integral driven second order polarization propagator calculations of the excitation spectra of naphthalene and anthracene
Bak, K. L., Koch, H., Oddershede, J., Christiansen, O. & Sauer, Stephan P. A., 2000, In: Journal of Chemical Physics. 112, 9, p. 4173-4185Research output: Contribution to journal › Journal article › Research › peer-review
- Published
Five-membered rings as diazo components in optical data storage devices: an ab initio investigation of the lowest singlet excitation energies
Åstrand, P., Sommer-Larsen, P., Hvilsted, S., Ramanujan, P. S., Bak, K. L. & Sauer, Stephan P. A., 2000, In: Chemical Physics Letters. 325, 1-3, p. 115-119Research 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
Published -
283
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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