2024

Šrut, Adam ; Lear, Benjamin J. ; Krewald, Vera (2024)
Symmetric Electron Transfer Coordinates are Intrinsic to Bridged Systems: An ab Initio Treatment of the Creutz–Taube Ion.
In: Angewandte Chemie International Edition, 2024, 63 (31)
doi: 10.26083/tuprints-00028288
Article, Secondary publication, Publisher's Version

Buchhorn, Moritz ; Krewald, Vera (2024)
AOMadillo: A program for fitting angular overlap model parameters.
In: Journal of Computational Chemistry, 2024, 45 (2)
doi: 10.26083/tuprints-00027187
Article, Secondary publication, Publisher's Version

Martins, Frederico F. ; Krewald, Vera (2024)
Cooperative Dinitrogen Activation: Identifying the Push‐Pull Effects of Transition Metals and Lewis Acids in Molecular Orbital Diagrams.
In: European Journal of Inorganic Chemistry, 2023, 26 (35)
doi: 10.26083/tuprints-00027229
Article, Secondary publication, Publisher's Version

Scherz, Frederik ; Bauer, Markus ; Domenianni, Luis I. ; Hoyer, Carolin ; Schmidt, Jonas ; Sarkar, Biprajit ; Vöhringer, Peter ; Krewald, Vera (2024)
Ultrafast photogeneration of a metal–organic nitrene from 1,1′-diazidoferrocene.
In: Chemical Science, 2024, 15 (18)
doi: 10.26083/tuprints-00027350
Article, Secondary publication, Publisher's Version

Rupp, Severine ; Plasser, Felix ; Krewald, Vera (2024)
Multi‐Tier Electronic Structure Analysis of Sita's Mo and W Complexes Capable of Thermal or Photochemical N₂ Splitting.
In: European Journal of Inorganic Chemistry, 2020, 2020 (15-16)
doi: 10.26083/tuprints-00015647
Article, Secondary publication, Publisher's Version

2023

Heppe, Nils ; Gallenkamp, Charlotte ; Paul, Stephen ; Segura‐Salas, Nicole ; Rhein, Niklas von ; Kaiser, Bernhard ; Jaegermann, Wolfram ; Jafari, Atefeh ; Sergueev, Ilya ; Krewald, Vera ; Kramm, Ulrike I. (2023)
Substituent Effects in Iron Porphyrin Catalysts for the Hydrogen Evolution Reaction.
In: Chemistry - A European Journal, 2023, 29 (10)
doi: 10.26083/tuprints-00023704
Article, Secondary publication, Publisher's Version

Buchhorn, Moritz ; Deeth, Robert J. ; Krewald, Vera (2023)
Revisiting the Fundamental Nature of Metal‐Ligand Bonding: An Impartial and Automated Fitting Procedure for Angular Overlap Model Parameters.
In: Chemistry - A European Journal, 2022, 28 (9)
doi: 10.26083/tuprints-00024313
Article, Secondary publication, Publisher's Version

Elvers, Benedict J. ; Pätsch, Sebastian ; Bandaru, Siva S. M. ; Krewald, Vera ; Schulzke, Carola ; Fischer, Christian (2023)
Fine‐Tuning Redox Properties of Heteroleptic Molybdenum Complexes through Ligand‐Ligand‐Cooperativity.
In: Angewandte Chemie International Edition, 2023, 62 (25)
doi: 10.26083/tuprints-00024321
Article, Secondary publication, Publisher's Version

Papadakis, Michael ; Barrozo, Alexandre ; Delmotte, Léa ; Straistari, Tatiana ; Shova, Sergiu ; Réglier, Marius ; Krewald, Vera ; Bertaina, Sylvain ; Hardré, Renaud ; Orio, Maylis (2023)
How Metal Nuclearity Impacts Electrocatalytic H₂ Production in Thiocarbohydrazone-Based Complexes.
In: Inorganics, 2023, 11 (4)
doi: 10.26083/tuprints-00023650
Article, Secondary publication, Publisher's Version