The K+/Y3+ cationic exchange in a C5-symmetric metallamacrocyclic scaffold: DFT examination with QTAIM, ELF, MEP approaches and XRD study of the final alaninehydroximate complex.

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Title: The K+/Y3+ cationic exchange in a C5-symmetric metallamacrocyclic scaffold: DFT examination with QTAIM, ELF, MEP approaches and XRD study of the final alaninehydroximate complex.
Authors: Zhigulin G; G.A. Razuvaev Institute of Organometallic Chemistry of Russian Academy of Sciences, 49 Tropinin Str, 603950, Nizhny Novgorod, Russian Federation. gzhigulin@gmail.com., Zabrodina G; G.A. Razuvaev Institute of Organometallic Chemistry of Russian Academy of Sciences, 49 Tropinin Str, 603950, Nizhny Novgorod, Russian Federation., Baranov E; G.A. Razuvaev Institute of Organometallic Chemistry of Russian Academy of Sciences, 49 Tropinin Str, 603950, Nizhny Novgorod, Russian Federation., Katkova M; G.A. Razuvaev Institute of Organometallic Chemistry of Russian Academy of Sciences, 49 Tropinin Str, 603950, Nizhny Novgorod, Russian Federation., Ketkov S; G.A. Razuvaev Institute of Organometallic Chemistry of Russian Academy of Sciences, 49 Tropinin Str, 603950, Nizhny Novgorod, Russian Federation.
Source: Journal of molecular modeling [J Mol Model] 2025 Jun 04; Vol. 31 (7), pp. 180. Date of Electronic Publication: 2025 Jun 04.
Publication Type: Journal Article
Journal Info: Publisher: Springer Country of Publication: Germany NLM ID: 9806569 Publication Model: Electronic Cited Medium: Internet ISSN: 0948-5023 (Electronic) Linking ISSN: 09485023 NLM ISO Abbreviation: J Mol Model Subsets: MEDLINE; PubMed not MEDLINE
Database: MEDLINE Ultimate
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