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ORCIDStephan P. A. Sauer
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Journal Articles
- 2021
[j8]Sarah L. V. Zahn
, Ole Hammerich, Poul Erik Hansen, Stephan P. A. Sauer:
The best density functional theory functional for the prediction of 1H and 13C chemical shifts of protonated alkylpyrroles. J. Comput. Chem. 42(18): 1248-1262 (2021)- 2020
- [j7]Pi A. B. Haase, Rasmus Faber, Patricio F. Provasi, Stephan P. A. Sauer:
Noniterative Doubles Corrections to the Random Phase and Higher Random Phase Approximations: Singlet and Triplet Excitation Energies. J. Comput. Chem. 41(1): 43-55 (2020) - 2018
- [j6]Gabriel I. Pagola, Martin A. B. Larsen, Marta B. Ferraro, Stephan P. A. Sauer:
The influence of relativistic effects on nuclear magnetic resonance spin-spin coupling constant polarizabilities of H2O2, H2S2, H2Se2, and H2Te2. J. Comput. Chem. 39(31): 2589-2600 (2018) - [j5]Anna Kristina Schnack-Petersen, Pi A. B. Haase, Rasmus Faber, Patricio F. Provasi, Stephan P. A. Sauer:
RPA(D) and HRPA(D): Two new models for calculations of NMR indirect nuclear spin-spin coupling constants. J. Comput. Chem. 39(32): 2647-2666 (2018) - 2016
- [j4]Marzena Jankowska, Teobald Kupka, Leszek Stobinski, Rasmus Faber, Evanildo G. Lacerda Jr., Stephan P. A. Sauer:
Spin-orbit ZORA and four-component Dirac-Coulomb estimation of relativistic corrections to isotropic nuclear shieldings and chemical shifts of noble gas dimers. J. Comput. Chem. 37(4): 395-403 (2016) - 2012
- [j3]Hanna Kjær, Monia R. Nielsen, Gabriel I. Pagola, Marta B. Ferraro, Paolo Lazzeretti, Stephan P. A. Sauer:
Nuclear magnetic resonance J coupling constant polarizabilities of hydrogen peroxide: A basis set and correlation study. J. Comput. Chem. 33(23): 1845-1853 (2012) - [j2]Janus Juul Eriksen, Stephan P. A. Sauer, Kurt V. Mikkelsen, Hans Jorgen Aagard Jensen, Jacob Kongsted:
On the importance of excited state dynamic response electron correlation in polarizable embedding methods. J. Comput. Chem. 33(25): 2012-2022 (2012) - 2011
- [j1]Hanna Kjær, Stephan P. A. Sauer, Jacob Kongsted:
The coupling constant polarizability and hyperpolarizabilty of 1J(NH) in N-methylacetamide, and its application for the multipole spin-spin coupling constant polarizability/reaction field approach to solvation. J. Comput. Chem. 32(15): 3168-3174 (2011)
Coauthor Index
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