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Dalton Transactions (Cambridge, England : 2003)|May 2, 2023
The π-interactions of ammonia ligands evaluated by ab initio ligand field theoryMoritz Buchhorn, Vera KrewaldJournal of Computational Chemistry|September 28, 2023
AOMadillo: A program for fitting angular overlap model parametersMoritz Buchhorn, Vera KrewaldDalton Transactions (Cambridge, England : 2003)|October 25, 2016
Understanding and tuning the properties of redox-accumulating manganese helicatesVera Krewald, Dimitrios A PantazisChemical Communications (Cambridge, England)|January 15, 2025
The temperature dependence of Mössbauer quadrupole splitting values: a quantum chemical analysisNiklas von Rhein, Vera KrewaldPhysical Review Letters|April 18, 2020
Fission of Relativistic Nuclei with Fragment Excitation and ReorientationCarlos A Bertulani, Yasemin Kucuk, Radomira LozevaJournal of the American Chemical Society|March 27, 2013
On the magnetic and spectroscopic properties of high-valent Mn3CaO4 cubanes as structural units of natural and artificial water-oxidizing catalystsVera Krewald, Frank Neese, Dimitrios A PantazisAngewandte Chemie (International Ed. in English)|July 1, 2024
Symmetric Electron Transfer Coordinates are Intrinsic to Bridged Systems: An ab Initio Treatment of the Creutz-Taube IonAdam Šrut, Benjamin J Lear, Vera KrewaldJournal of Inorganic Biochemistry|August 13, 2019
Implications of structural heterogeneity for the electronic structure of the final oxygen-evolving intermediate in photosystem IIVera Krewald, Frank Neese, Dimitrios A PantazisChemical Communications (Cambridge, England)|January 11, 2021
Spectroscopic discernibility of dopants and axial ligands in pyridinic FeN4 environments relevant to single-atom catalystsCharlotte Gallenkamp, Ulrike I Kramm, Vera KrewaldJACS Au|April 1, 2024
FeN4 Environments upon Reduction: A Computational Analysis of Spin States, Spectroscopic Properties, and Active SpeciesCharlotte Gallenkamp, Ulrike I Kramm, Vera KrewaldPageof 5,847