Yu. V. Nelyubina, A. A. Korlyukov, K. A. Lyssenko, “Probing systematic errors in experimental charge density by multipole and invariom modeling: a twinned crystal of 1,10-phenanthroline hydrate”, Mendeleev Commun., 24:5 (2014), 286

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Mendeleev Communications, 2014, Volume 24, Issue 5, Pages 286–289
DOI: https://doi.org/10.1016/j.mencom.2014.09.013 (Mi mendc2554)

This article is cited in 14 scientific papers (total in 14 papers)

Communications

Probing systematic errors in experimental charge density by multipole and invariom modeling: a twinned crystal of 1,10-phenanthroline hydrate

Yu. V. Nelyubina^a, A. A. Korlyukov^ab, K. A. Lyssenko^a

^a A.N. Nesmeyanov Institute of Organoelement Compounds of Russian Academy of Sciences, Moscow, Russian Federation
^b N.I. Pirogov Russian National Research Medical University, Moscow, Russian Federation

Full-text PDF (683 kB) Citations (14) Supplementary materials

DOI: https://doi.org/10.1016/j.mencom.2014.09.013

Graphic abstract: Probing systematic errors in experimental charge density by multipole and invariom modeling: a twinned crystal of 1,10-phenanthroline hydrate

Abstract: The modeling of experimental electron density in a twinned crystal of 1,10-phenanthroline hydrate within an invariom approach revealed its another advantage for charge density studies, which is assessing the reliability of chemically relevant information provided by a conventional multipole refinement against high-resolution X-ray diffraction data.

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Document Type: Article

Language: English

*Supplementary materials:*
		Supplementary_data_1.pdf	(896.3 Kb)

Citation: Yu. V. Nelyubina, A. A. Korlyukov, K. A. Lyssenko, “Probing systematic errors in experimental charge density by multipole and invariom modeling: a twinned crystal of 1,10-phenanthroline hydrate”, Mendeleev Commun., 24:5 (2014), 286–289

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https://www.mathnet.ru/eng/mendc/v24/i5/p286

This publication is cited in the following 14 articles:

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