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On the Prediction of Lattice Energy with the Fukui Potential: Some Supports on Hardness Maximization in Inorganic Solids.
J Phys Chem A. 2022 Jul 14;126(27):4507-4516. doi: 10.1021/acs.jpca.1c09898. Epub 2022 Jun 29.
J Phys Chem A. 2022.
PMID: 35766899
Free PMC article.
Predicting Deprotonation Sites Using Alchemical Derivatives.
Muñoz M, Robles-Navarro A, Fuentealba P, Cárdenas C.
Muñoz M, et al. Among authors: robles navarro a.
J Phys Chem A. 2020 May 14;124(19):3754-3760. doi: 10.1021/acs.jpca.9b09472. Epub 2020 Apr 29.
J Phys Chem A. 2020.
PMID: 32286831
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Links among the Fukui potential, the alchemical hardness and the local hardness of an atom in a molecule.
Gómez T, Fuentealba P, Robles-Navarro A, Cárdenas C.
Gómez T, et al. Among authors: robles navarro a.
J Comput Chem. 2021 Sep 5;42(23):1681-1688. doi: 10.1002/jcc.26705. Epub 2021 Jun 13.
J Comput Chem. 2021.
PMID: 34121207
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Electronegativity under Confinement.
Robles-Navarro A, Cárdenas C, Fuentealba P.
Robles-Navarro A, et al.
Molecules. 2021 Nov 17;26(22):6924. doi: 10.3390/molecules26226924.
Molecules. 2021.
PMID: 34834015
Free PMC article.
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Meisenheimer complexes as hidden intermediates in the aza-SNAr mechanism.
Ormazábal-Toledo R, Richter S, Robles-Navarro A, Maulén B, Matute RA, Gallardo-Fuentes S.
Ormazábal-Toledo R, et al. Among authors: robles navarro a.
Org Biomol Chem. 2020 Jun 10;18(22):4238-4247. doi: 10.1039/d0ob00600a.
Org Biomol Chem. 2020.
PMID: 32432594
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Tipping the Balance Between the bcc and fcc Phase Within the Alkali and Coinage Metal Groups.
Robles-Navarro A, Jerabek P, Schwerdtfeger P.
Robles-Navarro A, et al.
Angew Chem Int Ed Engl. 2024 Jan 2;63(1):e202313679. doi: 10.1002/anie.202313679. Epub 2023 Nov 29.
Angew Chem Int Ed Engl. 2024.
PMID: 37877444
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