Stephan P. A. Sauer

Stephan P. A. Sauer

Professor

ORCID: 0000-0003-4812-0522

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  1. Published

    Analysis of the interactions between difluoroacetylene and one or two hydrogen fluoride molecules based on calculated spin–spin coupling constants

    Provasi, P. F., Caputo, M. C., Sauer, Stephan P. A., Alkorta, I. & Elguero, J., 2012, In: Theoretical and Computational Chemistry. 998, p. 98-105 8 p.

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

  2. Published

    Analysis of the interactions in FCCF: (H2O) and FCCF:(H2O)2 complexes through the study of their indirect spin–spin coupling constants

    Caputo, M. C., Alkorta, I., Provasi, P. F. & Sauer, Stephan P. A., 17 Sep 2018, In: Molecular Physics. 116, 18, p. 2396-2405 10 p.

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

  3. Published

    Anion binding by biotin[6]uril in water

    Lisbjerg, M., Nielsen, B. E., Milhøj, B. O., Sauer, Stephan P. A. & Pittelkow, Michael, 2015, In: Organic & Biomolecular Chemistry. 13, 2, p. 369-373 5 p.

    Research output: Contribution to journal › Letter › Research › peer-review

  4. 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. 4173-4185

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

  5. Published

    Atomic partition of the optical rotatory power of methylhydroperoxide

    Sánchez, M., Ferraro, M. B., Alkorta, I., Elguero, J. & Sauer, Stephan P. A., 2008, In: Journal of Chemical Physics. 128, p. 064318 8 p.

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

  6. Published

    Azadioxatriangulenium and diazaoxatriangulenium: quantum yields and fundamental photophysical properties

    Bogh, S. A., Simmermacher, M., Westberg, M., Bregnhøj, M., Rosenberg, M., De Vico, L., Veiga, M., Laursen, Bo Wegge, R. Ogilby, P., Sauer, Stephan P. A. & Sørensen, Thomas Just, 2017, In: ACS Omega. 2, 1, p. 193-203 11 p.

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

  7. Published

    Azo-hydrazone molecular switches: Synthesis and NMR conformational investigation

    Kurutos, A., Kamounah, Fadhil S, Dobrikov, G. M., Pittelkow, Michael, Sauer, Stephan P. A. & Hansen, P. E., 4 Oct 2021, In: Magnetic Resonance in Chemistry. 59, 11, p. 1116-1125 10 p.

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

  8. Published

    Basis set effects on coupled cluster benchmarks of electronically excited states: CC3, CCSDR(3) and CC2

    Silva-Junior, M. R., Sauer, Stephan P. A., Schreiber, M. & Thiel, W., 2010, In: Molecular Physics. 108, 3 & 4, p. 453-465

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

  9. Published

    Benchmarking NMR indirect nuclear spin-spin coupling constants: SOPPA, SOPPA(CC2), and SOPPA(CCSD) versus CCSD

    Kjær, H., Sauer, Stephan P. A. & Kongsted, J., 2010, In: Journal of Chemical Physics. 133, 14, p. 144106 13 p.

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

  10. 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

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