B

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

E

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

G

Gallenkamp, Charlotte (2022)
Developing molecular models for the prediction of spectroscopic properties of FeNC electrocatalyst active sites using DFT.
Technische Universität Darmstadt
doi: 10.26083/tuprints-00021590
Ph.D. Thesis, Primary publication, Publisher's Version

H

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

M

Materzok, Tobias (2023)
Unraveling Molecular Mechanisms of Gecko Adhesion: Multi-Scale Molecular Dynamics.
Technische Universität Darmstadt
doi: 10.26083/tuprints-00023297
Ph.D. Thesis, Primary publication, Publisher's Version

Materzok, Tobias ; Eslami, Hossein ; Gorb, Stanislav N. ; Müller‐Plathe, Florian (2023)
Understanding Humidity‐Enhanced Adhesion of Geckos: Deep Neural Network‐Assisted Multi‐Scale Molecular Modeling.
In: Small : nano micro, 2023, 19 (22)
doi: 10.26083/tuprints-00024319
Article, Secondary publication, Publisher's Version

P

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

S

Schneider, Jurek (2021)
Development and Application of Multiscale Methods for Simulating Polymer Properties.
Technische Universität Darmstadt
doi: 10.26083/tuprints-00019100
Ph.D. Thesis, Primary publication, Publisher's Version