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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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  Data: The K<superscript>+</superscript>/Y<superscript>3+</superscript> cationic exchange in a C<subscript>5</subscript>-symmetric metallamacrocyclic scaffold: DFT examination with QTAIM, ELF, MEP approaches and XRD study of the final alaninehydroximate complex.
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  Data: <searchLink fieldCode="AU" term="%22Zhigulin+G%22">Zhigulin G</searchLink>; G.A. Razuvaev Institute of Organometallic Chemistry of Russian Academy of Sciences, 49 Tropinin Str, 603950, Nizhny Novgorod, Russian Federation. gzhigulin@gmail.com.<br /><searchLink fieldCode="AU" term="%22Zabrodina+G%22">Zabrodina G</searchLink>; G.A. Razuvaev Institute of Organometallic Chemistry of Russian Academy of Sciences, 49 Tropinin Str, 603950, Nizhny Novgorod, Russian Federation.<br /><searchLink fieldCode="AU" term="%22Baranov+E%22">Baranov E</searchLink>; G.A. Razuvaev Institute of Organometallic Chemistry of Russian Academy of Sciences, 49 Tropinin Str, 603950, Nizhny Novgorod, Russian Federation.<br /><searchLink fieldCode="AU" term="%22Katkova+M%22">Katkova M</searchLink>; G.A. Razuvaev Institute of Organometallic Chemistry of Russian Academy of Sciences, 49 Tropinin Str, 603950, Nizhny Novgorod, Russian Federation.<br /><searchLink fieldCode="AU" term="%22Ketkov+S%22">Ketkov S</searchLink>; G.A. Razuvaev Institute of Organometallic Chemistry of Russian Academy of Sciences, 49 Tropinin Str, 603950, Nizhny Novgorod, Russian Federation.
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  Data: <searchLink fieldCode="JN" term="%229806569%22">Journal of molecular modeling</searchLink> [J Mol Model] 2025 Jun 04; Vol. 31 (7), pp. 180. <i>Date of Electronic Publication: </i>2025 Jun 04.
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  Data: <i>Publisher: </i><searchLink fieldCode="PB" term="%22Springer%22">Springer </searchLink><i>Country of Publication: </i>Germany <i>NLM ID: </i>9806569 <i>Publication Model: </i>Electronic <i>Cited Medium: </i>Internet <i>ISSN: </i>0948-5023 (Electronic) <i>Linking ISSN: </i><searchLink fieldCode="IS" term="%2209485023%22">09485023 </searchLink><i>NLM ISO Abbreviation: </i>J Mol Model <i>Subsets: </i>MEDLINE; PubMed not MEDLINE
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        Value: 10.1007/s00894-025-06409-5
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      – TitleFull: 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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              Text: 2025 Jun 04
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