Dalton Project: A Python platform for molecular- and electronic-structure simulations of complex systems by Olsen, Jógvan Magnus Haugaard, Reine, Simen, Vahtras, Olav, Kjellgren, Erik, Reinholdt, Peter, Hjorth Dundas, Karen Oda, Li, Xin, Cukras, Janusz, Ringholm, Magnus, Hedegård, Erik D., Di Remigio, Roberto, List, Nanna H., Faber, Rasmus, Cabral Tenorio, Bruno Nunes, Bast, Radovan, Pedersen, Thomas Bondo, Rinkevicius, Zilvinas, Sauer, Stephan P. A., Mikkelsen, Kurt V., Kongsted, Jacob, Coriani, Sonia, Ruud, Kenneth, Helgaker, Trygve, Jensen, Hans Jørgen Aa, Norman, Patrick

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A Theoretical Study of Hydrogen Abstraction Reactions in Guanosine and Uridine by Schaltz, Kasper F, Sauer, Stephan P A

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The Importance of Anharmonicity and Solvent Effects on the OH Radical Attack on Nucleobases by Ekstrøm, Anna Thorn, Hansen, Vera Staun, Sauer, Stephan P A

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Free Molecule Studies by Perturbed γ-γ Angular Correlation: A New Path to Accurate Nuclear Quadrupole Moments by Haas, Heinz, Röder, Jens, Correia, Joao G, Schell, J, Fenta, Abel S, Vianden, Reiner, Larsen, Emil M H, Aggelund, Patrick A, Fromsejer, Rasmus, Hemmingsen, Lars B S, Sauer, Stephan P A, Lupascu, Doru C, Amaral, Vitor S

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Optimized Basis Sets for Calculation of Electron Paramagnetic Resonance Hyperfine Coupling Constants: aug-cc-pVTZ-J for the 3d Atoms Sc–Zn by Hedegård, Erik Donovan, Kongsted, Jacob, Sauer, Stephan P. A

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Benchmarks for Electronically Excited States: A Comparison of Noniterative and Iterative Triples Corrections in Linear Response Coupled Cluster Methods: CCSDR(3) versus CC3 by Sauer, Stephan P. A, Schreiber, Marko, Silva-Junior, Mario R, Thiel, Walter

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The Importance of Solvent Effects in Calculations of NMR Coupling Constants at the Doubles Corrected Higher Random-Phase Approximation by Jessen, Louise Møller, Reinholdt, Peter, Kongsted, Jacob, Sauer, Stephan P. A.

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On the convergence of zero-point vibrational corrections to nuclear shieldings and shielding anisotropies towards the complete basis set limit in water by Faber, Rasmus, Buczek, Aneta, Kupka, Teobald, Sauer, Stephan P. A.

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Benchmarks for electronically excited states: CASPT2, CC2, CCSD,and CC3 by Schreiber, Marko, Silva-Junior, Mario R., Sauer, Stephan P. A., Thiel, Walter

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On the performance of HRPA(D) for NMR spin–spin coupling constants: Smaller molecules, aromatic and fluoroaromatic compounds by Jessen, Louise Møller, Sauer, Stephan P. A.

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Benchmarks for electronically excited states: Time-dependent density functional theory and density functional theory based multireference configuration interaction by Silva-Junior, Mario R., Schreiber, Marko, Sauer, Stephan P. A., Thiel, Walter

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Correction: Schaltz et al. A Theoretical Study of Hydrogen Abstraction Reactions in Guanosine and Uridine. Int. J. Mol. Sci. 2023, 24 , 8192 by Schaltz, Kasper F, Sauer, Stephan P A

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Benchmarking Correlated Methods for Static and Dynamic Polarizabilities: The T145 Data Set Evaluated with RPA, RPA(D), HRPA, HRPA(D), SOPPA, SOPPA(CC2), SOPPA(CCSD), CC2, and CCSD by Beizaei, Nazanin, Sauer, Stephan P. A

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Benchmarks of electronically excited states: basis set effects on CASPT2 results by Silva-Junior, Mario R, Schreiber, Marko, Sauer, Stephan P A, Thiel, Walter

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Spin-orbit ZORA and four-component Dirac-Coulomb estimation of relativistic corrections to isotropic nuclear shieldings and chemical shifts of noble gas dimers by Jankowska, Marzena, Kupka, Teobald, Stobiński, Leszek, Faber, Rasmus, Lacerda Jr, Evanildo G., Sauer, Stephan P. A.

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On the discrepancy between theory and experiment for the F―F spin―spin coupling constant of difluoroethyne by FABER, Rasmus, SAUER, Stephan P. A

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Performance of range-separated long-range SOPPA short-range density functional theory method for vertical excitation energies by Fuglsbjerg, Juliane H., Nagy, Dániel, Jensen, Hans Jørgen Aa, Sauer, Stephan P. A.

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Benchmarking doubles-corrected random-phase approximation methods for frequency dependent polarizabilities: Aromatic molecules calculated at the RPA, HRPA, RPA(D), HRPA(D), and SOP... by Jørgensen, Maria W., Sauer, Stephan P. A.

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Improving the calculation of electron paramagnetic resonance hyperfine coupling tensors for d-block metals by HEDEGARD, Erik D, KONGSTED, Jacob, SAUER, Stephan P. A

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A tale of two vectors: A Lanczos algorithm for calculating RPA mean excitation energies by Zamok, Luna, Coriani, Sonia, Sauer, Stephan P. A.

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