Record link: 
http://hdl.handle.net/20.500.12708/141783
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Title: 
Reliable Computational Prediction of the Supramolecular Ordering of Complex Molecules under Electrochemical Conditions
en
Citation: 
Hartl, B., Sharma, S., Brügner, O., Mertens, S. F. L., Walter, M., & Kahl, G. (2020). Reliable Computational Prediction of the Supramolecular Ordering of Complex Molecules under Electrochemical Conditions. Journal of Chemical Theory and Computation, 16(8), 5227–5243. https://doi.org/10.1021/acs.jctc.9b01251
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Publisher DOI: 
10.1021/acs.jctc.9b01251
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Publication Type: 
Article - Original Research Article
en
Language: 
English
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Authors: 
Hartl, Benedikt 
Sharma, Shubham 
Brügner, Oliver 
Mertens, Stijn F. L. 
Walter, Michael 
Kahl, Gerhard 
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Organisational Unit: 
E136 - Institut für Theoretische Physik 
E134-05 - Forschungsbereich Surface Physics 
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Journal: 
Journal of Chemical Theory and Computation 
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ISSN: 
1549-9618
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Date (published): 
2020
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Number of Pages: 
17
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Publisher: 
AMER CHEMICAL SOC
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Peer reviewed: 
Yes
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Keywords: 
Computer Science Applications; Physical and Theoretical Chemistry
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Research Areas: 
Metallic Materials: 10%
Surfaces and Interfaces: 40%
Computational Materials Science: 50%
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Science Branch: 
Physik, Astronomie
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