G. K. Fukin, A. V. Cherkasov, R. V. Rumyantcev, “Decision problem with high residual electron density on the metal atom”, Mendeleev Commun., 32:2 (2022), 202

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Mendeleev Communications, 2022, Volume 32, Issue 2, Pages 202–204
DOI: https://doi.org/10.1016/j.mencom.2022.03.016 (Mi mendc613)

This article is cited in 2 scientific papers (total in 2 papers)

Communications

Decision problem with high residual electron density on the metal atom

G. K. Fukin, A. V. Cherkasov, R. V. Rumyantcev

G.A. Razuvaev Institute of Organometallic Chemistry, Russian Academy of Sciences, Nizhnii Novgorod, Russian Federation

Full-text PDF (372 kB) Citations (2) Supplementary materials

DOI: https://doi.org/10.1016/j.mencom.2022.03.016

Graphic abstract: Decision problem with high residual electron density on the metal atom

Abstract: It is shown that replacing the experimental electron density with the theoretical one on the terbium atom describes the experimental topology in the coordination sphere with high accuracy. Such a replacement is fundamentally important in the case of high residual electron density on a heavy metal atom.

Keywords: high-resolution X-ray diffraction, experimental charge density, experimental–theoretical charge density, terbium atomic invariom, neutral terbium(III) complex, tris(3,5-dimethyl-1-pyrazolyl)methane, single-molecule magnets.

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Document Type: Article

Language: English

*Supplementary materials:*
		Supplementary_data_1.pdf	(1.5 Mb)

Citation: G. K. Fukin, A. V. Cherkasov, R. V. Rumyantcev, “Decision problem with high residual electron density on the metal atom”, Mendeleev Commun., 32:2 (2022), 202–204

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https://www.mathnet.ru/eng/mendc/v32/i2/p202

This publication is cited in the following 2 articles:

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