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Novel [FeFe]-Hydrogenase Mimics: Unexpected Course of the Reaction of Ferrocenyl α-Thienyl Thioketone with Fe3(CO)12.
Materials (Basel). 2022 Apr 14;15(8):2867. doi: 10.3390/ma15082867.
Materials (Basel). 2022.
PMID: 35454560
Free PMC article.
Unraveling the Light-Activated Reaction Mechanism in a Catalytically Competent Key Intermediate of a Multifunctional Molecular Catalyst for Artificial Photosynthesis.
Zedler L, Mengele AK, Ziems KM, Zhang Y, Wächtler M, Gräfe S, Pascher T, Rau S, Kupfer S, Dietzek B.
Zedler L, et al. Among authors: ziems km.
Angew Chem Int Ed Engl. 2019 Sep 9;58(37):13140-13148. doi: 10.1002/anie.201907247. Epub 2019 Aug 19.
Angew Chem Int Ed Engl. 2019.
PMID: 31347251
Free PMC article.
Review.
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Post-Ionization Dynamics of the Polar Molecule OCS in Asymmetric Laser Fields.
Endo T, Ziems KM, Richter M, Fröbel FG, Hishikawa A, Gräfe S, Légaré F, Ibrahim H.
Endo T, et al. Among authors: ziems km.
Front Chem. 2022 Apr 8;10:859750. doi: 10.3389/fchem.2022.859750. eCollection 2022.
Front Chem. 2022.
PMID: 35464205
Free PMC article.
Item in Clipboard
Nuclear-Electron Correlation Effects and Their Photoelectron Imprint in Molecular XUV Ionisation.
Ziems KM, Bruhnke J, Engel V, Gräfe S.
Ziems KM, et al.
Front Chem. 2022 Aug 5;10:942633. doi: 10.3389/fchem.2022.942633. eCollection 2022.
Front Chem. 2022.
PMID: 35991602
Free PMC article.
Item in Clipboard
The contribution of Compton ionization to ultrafast x-ray scattering.
Ziems KM, Simmermacher M, Gräfe S, Kirrander A.
Ziems KM, et al.
J Chem Phys. 2023 Jul 28;159(4):044108. doi: 10.1063/5.0156363.
J Chem Phys. 2023.
PMID: 37493128
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Quantum Equation of Motion with Orbital Optimization for Computing Molecular Properties in Near-Term Quantum Computing.
Jensen PWK, Kjellgren ER, Reinholdt P, Ziems KM, Coriani S, Kongsted J, Sauer SPA.
Jensen PWK, et al. Among authors: ziems km.
J Chem Theory Comput. 2024 May 14;20(9):3613-3625. doi: 10.1021/acs.jctc.4c00069. Epub 2024 May 3.
J Chem Theory Comput. 2024.
PMID: 38701352
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Subspace Methods for the Simulation of Molecular Response Properties on a Quantum Computer.
Reinholdt P, Kjellgren ER, Fuglsbjerg JH, Ziems KM, Coriani S, Sauer SPA, Kongsted J.
Reinholdt P, et al. Among authors: ziems km.
J Chem Theory Comput. 2024 May 14;20(9):3729-3740. doi: 10.1021/acs.jctc.4c00211. Epub 2024 May 1.
J Chem Theory Comput. 2024.
PMID: 38691524
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Which Options Exist for NISQ-Friendly Linear Response Formulations?
Ziems KM, Kjellgren ER, Reinholdt P, Jensen PWK, Sauer SPA, Kongsted J, Coriani S.
Ziems KM, et al.
J Chem Theory Comput. 2024 May 14;20(9):3551-3565. doi: 10.1021/acs.jctc.3c01402. Epub 2024 Apr 25.
J Chem Theory Comput. 2024.
PMID: 38662999
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