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. - Hanna Kjær; Stephan P. A. Sauer; Jacob Kongsted (J. Comput. Chem., 2011)

On the importance of excited state dynamic response electron correlation in polarizable embedding methods. - Janus Juul Eriksen; Stephan P. A. Sauer; Kurt V. Mikkelsen; Hans Jorgen Aagard Jensen; Jacob Kongsted (J. Comput. Chem., 2012)

Nuclear magnetic resonance J coupling constant polarizabilities of hydrogen peroxide: A basis set and correlation study. - Hanna Kjær; Monia R. Nielsen; Gabriel I. Pagola; Marta B. Ferraro; Paolo Lazzeretti; Stephan P. A. Sauer (J. Comput. Chem., 2012)

Spin-orbit ZORA and four-component Dirac-Coulomb estimation of relativistic corrections to isotropic nuclear shieldings and chemical shifts of noble gas dimers. - Marzena Jankowska; Teobald Kupka; Leszek Stobinski; Rasmus Faber; Evanildo G. Lacerda Jr.; Stephan P. A. Sauer (J. Comput. Chem., 2016)

The influence of relativistic effects on nuclear magnetic resonance spin-spin coupling constant polarizabilities of H2O2, H2S2, H2Se2, and H2Te2. - Gabriel I. Pagola; Martin A. B. Larsen; Marta B. Ferraro; Stephan P. A. Sauer (J. Comput. Chem., 2018)

RPA(D) and HRPA(D): Two new models for calculations of NMR indirect nuclear spin-spin coupling constants. - Anna Kristina Schnack-Petersen; Pi A. B. Haase; Rasmus Faber; Patricio F. Provasi; Stephan P. A. Sauer (J. Comput. Chem., 2018)

Noniterative Doubles Corrections to the Random Phase and Higher Random Phase Approximations: Singlet and Triplet Excitation Energies. - Pi A. B. Haase; Rasmus Faber; Patricio F. Provasi; Stephan P. A. Sauer (J. Comput. Chem., 2020)

The best density functional theory functional for the prediction of 1H and 13C chemical shifts of protonated alkylpyrroles. - Sarah L. V. Zahn; Ole Hammerich; Poul Erik Hansen; Stephan P. A. Sauer (J. Comput. Chem., 2021)