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ЖУРНАЛЫ // Mendeleev Communications // Архив

Mendeleev Commun., 2021, том 31, выпуск 2, страницы 182–184 (Mi mendc872)

Эта публикация цитируется в 11 статьях

Communications

Experimental, experimental–theoretical and theoretical estimates of intermolecular interaction energies in η6-[(5-methyl-1,3-oxazolidin-3-yl)benzene]tricarbonylchromium(0)

G. K. Fukin, A. V. Cherkasov

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


Аннотация: The electron density distribution based on a whole-molecule aspherical scattering factor (molecular invariom) and an asymmetric unit-cell aspherical scattering factor (crystal invariom) allows us to analyze both intramolecular and intermolecular interactions in a crystal with sufficient accuracy.

Ключевые слова: high-resolution X-ray diffraction, charge density, periodical DFT calculation, (η6-arene)tricarbonylchromium.

Язык публикации: английский

DOI: 10.1016/j.mencom.2021.03.012



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