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Molecular interactions from the density functional theory for chemical reactivity: Interaction chemical potential, hardness, and reactivity principles.
Front Chem. 2022 Jul 22;10:929464. doi: 10.3389/fchem.2022.929464. eCollection 2022.
Front Chem. 2022.
PMID: 35936089
Free PMC article.
Molecular Interactions From the Density Functional Theory for Chemical Reactivity: The Interaction Energy Between Two-Reagents.
Miranda-Quintana RA, Heidar-Zadeh F, Fias S, Chapman AEA, Liu S, Morell C, Gómez T, Cárdenas C, Ayers PW.
Miranda-Quintana RA, et al. Among authors: chapman aea.
Front Chem. 2022 Jun 13;10:906674. doi: 10.3389/fchem.2022.906674. eCollection 2022.
Front Chem. 2022.
PMID: 35769444
Free PMC article.
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