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Title:First-principles-based multiscale modelling of nonoxidative butane dehydrogenation on Cr [sub] 2O [sub] 3(0001)
Authors:ID Kopač, Drejc (Author)
ID Lašič Jurković, Damjan (Author)
ID Likozar, Blaž (Author)
ID Huš, Matej (Author)
Files:.pdf PDF - Presentation file, download (5,54 MB)
MD5: 6DF77AF290C828197F076AA040E25A18
 
URL URL - Source URL, visit https://pubs.acs.org/doi/10.1021/acscatal.0c03197
 
Language:English
Typology:1.01 - Original Scientific Article
Organization:Logo KI - National Institute of Chemistry
Keywords:butane, nonoxidative, dehydrogenation, first-principles, multiscale modelling, chromium oxide
Publication status:Published
Publication version:Version of Record
Year of publishing:2020
Number of pages:str. 14732-14746
Numbering:Vol. 10, iss. 24
PID:20.500.12556/DiRROS-12895 New window
UDC:544.3/.4
ISSN on article:2155-5435
DOI:10.1021/acscatal.0c03197 New window
COBISS.SI-ID:42025475 New window
Copyright:© 2020 American Chemical Society
Note:Nasl. z nasl. zaslona; Opis vira z dne 10. 12. 2020; Sodelavci: Damjan Lašič Jurković, Blaž Likozar, and Matej Huš;
Publication date in DiRROS:13.12.2020
Views:1498
Downloads:989
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Record is a part of a journal

Title:ACS catalysis
Shortened title:ACS catal.
Publisher:American Chemical Society
ISSN:2155-5435
COBISS.SI-ID:518529817 New window

Document is financed by a project

Funder:EC - European Commission
Funding programme:H2020
Project number:814671
Name:Bifunctional Zeolite based Catalysts and Innovative process for Sustainable Hydrocarbon Transformation
Acronym:BIZEOLCAT

Funder:ARRS - Slovenian Research Agency
Project number:P2-0152
Name:Kemijsko reakcijsko inženirstvo

Funder:ARRS - Slovenian Research Agency
Project number:I0-0039
Name:Infrastructure funding, Gibanje znanost mladini (IP GZM)

Licences

License:CC BY 4.0, Creative Commons Attribution 4.0 International
Link:http://creativecommons.org/licenses/by/4.0/
Description:This is the standard Creative Commons license that gives others maximum freedom to do what they want with the work as long as they credit the author.
Licensing start date:18.12.2020

Secondary language

Language:Undetermined
Keywords:kataliza, kromov oksid, modeliranje, butan


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