Stephan P. A. Sauer

Stephan P. A. Sauer

Professor

ORCID: 0000-0003-4812-0522

Publication year:
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41 - 50 out of 260Page size: 10
  1. 2021
  2. Published

    A Density Functional Theory Study of Optical Rotation in some Aziridine and Oxirane derivatives

    Galeano Carrano, R. S., Provasi, P. F., Ferraro, M. B., Alkorta, I., Elguero, J. & Sauer, Stephan P. A., 21 Apr 2021, In: ChemPhysChem. 22, 8, p. 764-774 11 p.

    Research output: Contribution to journal › Journal article › Research › peer-review

  3. Published

    Calculation of mean excitation energies of 3d-elements and their cations

    Sauer, Stephan P. A., Sabin, J. R. & Oddershede, J., 11 Mar 2021, In: Molecular Physics. 119, 5, 14 p., e1823508.

    Research output: Contribution to journal › Journal article › Research › peer-review

  4. Published

    Free molecule studies by perturbed γ-γ angular correlation: A new path to accurate nuclear quadrupole moments

    Haas, H., Röder, J., Correia, J. G., Schell, J., Fenta, A. S., Vianden, R., Larsen, E. M. H., Aggelund, P. A., Fromsejer, R., Hemmingsen, Lars Bo Stegeager, Sauer, Stephan P. A., Lupascu, D. C. & Amaral, V. S., 11 Mar 2021, In: Physical Review Letters. 126, 10-12, 6 p., 103001.

    Research output: Contribution to journal › Journal article › Research › peer-review

  5. Published

    Estimating the accuracy of calculated electronparamagnetic resonance hyperfine couplings for alytic polysaccharide monooxygenase

    Theibich, Y. A., Sauer, Stephan P. A., Lo Leggio, Leila & Hedegård, E. D., 12 Jan 2021, In: Computational and Structural Biotechnology Journal. 19, p. 555-567 13 p.

    Research output: Contribution to journal › Journal article › Research › peer-review

  6. Published

    A QM/MM study of the conformation stability and electronic structure of the photochromic switches derivatives of DHA/VHF in acetonitrile solution

    Cardenuto, M. H., Cezar, H. M., Mikkelsen, Kurt Valentin, Sauer, Stephan P. A., Coutinho, K. & Canuto, S., 2021, In: Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy. 251, 9 p., 119434.

    Research output: Contribution to journal › Journal article › Research › peer-review

  7. 2020
  8. Published

    RPA(D) and HRPA(D): Calculation of Carbon-Carbon Spin-Spin Coupling Constants for Saturated Cycloalkanes

    Møller, C. H. S., Schnack-Petersen, A. K. & Sauer, Stephan P. A., 22 Oct 2020, In: Molecular Physics. 118, 19-20, 16 p., e1757773.

    Research output: Contribution to journal › Journal article › Research › peer-review

  9. Published

    NMR parameters of FNNF as a test for coupled cluster methods: CCSDT shielding and CC3 spin-spin coupling

    Jaszunski, M., Sauer, Stephan P. A., Faber, R. & Wilson, D. J. D., 30 Sep 2020, In: Physical Chemistry Chemical Physics. 22, 37, p. 21350-21359 10 p.

    Research output: Contribution to journal › Journal article › Research › peer-review

  10. Published

    Interfacial tension in water/n-decane/naphthenic acid systems predicted by a combined COSMO-RS theory and pendant drop experimental study

    Olesen, K. B., Pedersen, A. D., Nikolajsen, L. V., Andersson, M. P., Sølling, Theis Ivan, Sauer, Stephan P. A. & Mikkelsen, Kurt Valentin, 23 Sep 2020, In: Mol. Phys.. 118, 18, 8 p., e1764645.

    Research output: Contribution to journal › Journal article › Research › peer-review

  11. Published

    Enhancing NMR Quantum Computation by Exploring Heavy Metal Complexes as Multiqubit Systems: a Theoretical Investigation

    Boreli Dos Reis Lino, J., Sauer, Stephan P. A. & Ramalho, T. C., 18 Jun 2020, In: J. Phys. Chem. A. 124, 24, p. 4946-4955 10 p.

    Research output: Contribution to journal › Journal article › Research › peer-review

  12. Published

    Benchmarking doubles-corrected random-phase approximation methods for frequency dependent polarizabilities: aromatic molecules calculated at the RPA, HRPA, RPA(D), HRPA(D) and SOPPA levels

    Jørgensen, M. W. & Sauer, Stephan P. A., 15 Jun 2020, In: Journal of Chemical Physics. 152, 10 p., 234101.

    Research output: Contribution to journal › Journal article › Research › peer-review

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ID: 9770