First-principles stability ranking of molecular crystal polymorphs with the DFT+MBD approach

Reference : First-principles stability ranking of molecular crystal polymorphs with the DFT+MBD a...


	Document type :	Scientific journals : Article
	Discipline(s) :	Physical, chemical, mathematical & earth Sciences : Physics
	Focus Areas :	Physics and Materials Science
	To cite this reference:	http://hdl.handle.net/10993/36217

Title :	First-principles stability ranking of molecular crystal polymorphs with the DFT+MBD approach
Language :	English
Author, co-author :	Hoja, Johannes [University of Luxembourg > Faculty of Science, Technology and Communication (FSTC) > Physics and Materials Science Research Unit >]
	Tkatchenko, Alexandre [University of Luxembourg > Faculty of Science, Technology and Communication (FSTC) > Physics and Materials Science Research Unit >]
Publication date :	2018
Journal title :	Faraday Discussions
Publisher :	Royal Society of Chemistry [= RSC]
Volume :	211
Pages :	253-274
Peer reviewed :	Yes (verified by ORBi^lu)
Audience :	International
ISSN :	1359-6640
e-ISSN :	1364-5498
City :	Cambridge
Country :	United Kingdom
Research centres :	University of Luxembourg: High Performance Computing - ULHPC
Permalink :	http://hdl.handle.net/10993/36217
DOI :	10.1039/C8FD00066B

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