Record link: 
http://hdl.handle.net/20.500.12708/154099
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Title: 
Static vs. dynamic approach in computational heterogeneous catalysis: Revisiting the active site concept
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Citation: 
Comas-Vives, A. (2022, June 22). Static vs. dynamic approach in computational heterogeneous catalysis: Revisiting the active site concept [Presentation]. Reihe “Focus Materialchemie”, Sommersemester 2022, Vienna, Austria.
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Publication Type: 
Presentation - Presentation
en
Language: 
English
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Authors: 
Comas-Vives, Aleix 
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Organisational Unit: 
E165-03-1 - Forschungsgruppe Theoretische Materialchemie 
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Date (published): 
22-Jun-2022
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Event name: 
Reihe "Focus Materialchemie", Sommersemester 2022 
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Event date: 
22-Jun-2022
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Event place: 
Vienna, Austria
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Keywords: 
DFT Calculations; Multiscale Modelling; Heterogeneous Catalysis
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Research Areas: 
Metallic Materials: 25%
Quantum Modeling and Simulation: 50%
Surfaces and Interfaces: 25%
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Science Branch: 
1040 - Chemie: 75%
1030 - Physik, Astronomie: 25%
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