Stephan P. A. Sauer

Publication Activity (10 Years)

Years Active: 2011-2021
Publications (10 Years): 5

Top Topics

Nuclear Magnetic Resonance

Top Venues

J. Comput. Chem.

Publications

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) (2021)
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) (2020)
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) (2018)
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) (2018)
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) (2016)
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) (2012)
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)
Hanna Kjær, Stephan P. A. Sauer, Jacob Kongsted
-methylacetamide, and its application for the multipole spin-spin coupling constant polarizability/reaction field approach to solvation. J. Comput. Chem. 32 (15) (2011)