Record link: 
http://hdl.handle.net/20.500.12708/152432
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Title: 
Building Better Models to Uncover The Reaction Dynamics of A Supramolecular Cu-calix[8]arene Catalyst with QM/MM MD
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Citation: 
Podewitz, M. (2022, September 20). Building Better Models to Uncover The Reaction Dynamics of A Supramolecular  Cu-calix[8]arene Catalyst with QM/MM MD [Conference Presentation]. 58th Symposium on Theoretical Chemistry, Heidelberg, Germany.
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Publication Type: 
Presentation - Conference Presentation
en
 
Vortrag - Conference Presentation
de
Language: 
English
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Authors: 
Podewitz, Maren 
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Organisational Unit: 
E165-03-1 - Forschungsgruppe Theoretische Materialchemie 
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Date (published): 
20-Sep-2022
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Event name: 
58th Symposium on Theoretical Chemistry 
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Event date: 
18-Sep-2022 - 22-Sep-2022
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Event place: 
Heidelberg, Germany
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Keywords: 
Machine Learning
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Research Areas: 
Quantum Modeling and Simulation: 20%
Materials Characterization: 40%
Computational Materials Science: 40%
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Science Branch: 
1040 - Chemie: 100%
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