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Benchmarking First-Principles Reaction Equilibrium Composition Prediction
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Authors
Marques, Esteban
;
De Gendt, Stefan
;
Pourtois, Geoffrey
;
van Setten, Michiel
DOI
10.3390/molecules28093649
ISSN
1420-3049
PMID
MEDLINE:37175062
Issue
9
Journal
MOLECULES
Volume
28
Title
Benchmarking First-Principles Reaction Equilibrium Composition Prediction
Publication type
Journal article
Embargo date
2023-04-22
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2
20.500.12860/41710.2
*
2023-08-02T12:19:07Z
validation by library/open access desk
1
20.500.12860/41710
2023-06-11T19:49:45Z
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