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Эта публикация цитируется в 14 научных статьях (всего в 14 статьях)
Probing systematic errors in experimental charge density by multipole and invariom modeling: a twinned crystal of 1,10-phenanthroline hydrate
Yu. V. Nelyubinaa, A. A. Korlyukovab, K. A. Lyssenkoa
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
Аннотация:
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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https://www.mathnet.ru/rus/mendc2554
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