Record link: 
http://hdl.handle.net/20.500.12708/153035
-
Title: 
QM/MM MD operando catalysis: dynamics of C-N coupling with a Cu calix[8]arene supramolecular catalyst
-
Citation: 
Talmazan, R. A., Castillo, I., Hofer, T., & Podewitz, M. (2022, July 5). QM/MM MD operando catalysis: dynamics of C-N coupling with a Cu calix[8]arene supramolecular catalyst [Poster Presentation]. 12th Triennial Congress of the World Association of Theoretical and Computational Chemists, Vancouver, Canada.
-
Publication Type: 
Presentation - Poster Presentation
en
Language: 
English
-
Authors: 
Talmazan, Radu Alexandru 
Castillo, Ivan 
Hofer, Thomas 
Podewitz, Maren 
-
Organisational Unit: 
E165-03-1 - Forschungsgruppe Theoretische Materialchemie 
-
Date (published): 
5-Jul-2022
-
Event name: 
12th Triennial Congress of the World Association of Theoretical and Computational Chemists 
-
Event date: 
3-Sep-2022 - 8-Sep-2022
-
Event place: 
Vancouver, Canada
-
Keywords: 
Machine Learning
-
Research Areas: 
Quantum Modeling and Simulation: 20%
Materials Characterization: 40%
Computational Materials Science: 40%
-
Science Branch: 
1040 - Chemie: 100%
-
Appears in Collections:
Presentation

Show full item record

Page view(s)

74
checked on Nov 23, 2023

Google ScholarTM

Check