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)

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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:	08 Apr 2025 07:25

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
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