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Modeling the polychromism of oxide minerals: The case of alexandrite and cordierite.
J Comput Chem. 2024 May 5;45(12):834-842. doi: 10.1002/jcc.27288. Epub 2023 Dec 26.
J Comput Chem. 2024.
PMID: 38146809
Atrazine Desorption Mechanism from an Hydrated Calcium Montmorillonite-A DFT Molecular Dynamics Study.
Desdion Q, Bessac F, Hoyau S.
Desdion Q, et al.
Int J Mol Sci. 2024 Jan 27;25(3):1604. doi: 10.3390/ijms25031604.
Int J Mol Sci. 2024.
PMID: 38338882
Free PMC article.
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