Development of a flexible quasi-harmonic-based approach for fast generation of self-consistent thermodynamic properties used in computational thermochemistry

Javier Jofré, Aïmen E. Gheribi and Jean-Philippe Harvey

Article (2023)

Open Acess document at official publisher

An external link is available for this item

Department:	Department of Chemical Engineering
Research Center:	CRCT - Centre for Research in Computational Thermochemistry
PolyPublie URL:	https://publications.polymtl.ca/56412/
Journal Title:	Calphad: Computer Coupling of Phase Diagrams and Thermochemistry (vol. 83)
Publisher:	Elsevier Ltd
DOI:	10.1016/j.calphad.2023.102624
Official URL:	https://doi.org/10.1016/j.calphad.2023.102624
Date Deposited:	02 Nov 2023 15:35
Last Modified:	25 Sep 2024 16:48

Cite in APA 7:	Jofré, J., Gheribi, A. E., & Harvey, J.-P. (2023). Development of a flexible quasi-harmonic-based approach for fast generation of self-consistent thermodynamic properties used in computational thermochemistry. Calphad: Computer Coupling of Phase Diagrams and Thermochemistry, 83, 102624 (16 pages). https://doi.org/10.1016/j.calphad.2023.102624
APA 7 (HTML)ASCII CitationAtomBibTeXDOIsDublin CoreEndNote (.ENW)MARC (ISO 2709/UTF-8) (.MRC)MARC (UTF-8) (.MRK8)MARC XMLMPEG-21 DIDLMultiline CSVOAI-ORE Resource Map (Atom Format)OPENAIREOpenURL ContextObjectOpenURL ContextObject in SpanRDF+N-TriplesRDF+N3RDF+XMLReferReference Manager (.RIS)Répertoire des publications (EndNote)Simple Metadata

Statistics

Dimensions

Repository Staff Only

View Item