Rykounov AA - Search Results

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Interplay of π-stacking and inter-stacking interactions in two-component crystals of neutral closed-shell aromatic compounds: periodic DFT study.

Melikova SM, Voronin AP, Panek J, Frolov NE, Shishkina AV, Rykounov AA, Tretyakov PY, Vener MV. Melikova SM, et al. Among authors: rykounov aa. RSC Adv. 2020 Jul 27;10(47):27899-27910. doi: 10.1039/d0ra04799f. eCollection 2020 Jul 27. RSC Adv. 2020. PMID: 35519116 Free PMC article.

Cl···Cl interactions in molecular crystals: insights from the theoretical charge density analysis.

Vener MV, Shishkina AV, Rykounov AA, Tsirelson VG. Vener MV, et al. Among authors: rykounov aa. J Phys Chem A. 2013 Sep 5;117(35):8459-67. doi: 10.1021/jp405119x. Epub 2013 Aug 23. J Phys Chem A. 2013. PMID: 23924151

Combined X-ray Crystallographic, IR/Raman Spectroscopic, and Periodic DFT Investigations of New Multicomponent Crystalline Forms of Anthelmintic Drugs: A Case Study of Carbendazim Maleate.

Voronin AP, Surov AO, Churakov AV, Parashchuk OD, Rykounov AA, Vener MV. Voronin AP, et al. Among authors: rykounov aa. Molecules. 2020 May 21;25(10):2386. doi: 10.3390/molecules25102386. Molecules. 2020. PMID: 32455564 Free PMC article.

Molecular and crystal properties of ethyl 4,6-dimethyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate from experimental and theoretical electron densities.

Tsirelson VG, Stash AI, Potemkin VA, Rykounov AA, Shutalev AD, Zhurova EA, Zhurov VV, Pinkerton AA, Gurskaya GV, Zavodnik VE. Tsirelson VG, et al. Among authors: rykounov aa. Acta Crystallogr B. 2006 Aug;62(Pt 4):676-88. doi: 10.1107/S0108768106016326. Epub 2006 Jul 12. Acta Crystallogr B. 2006. PMID: 16840817

On the transferability of QTAIMC descriptors derived from X-ray diffraction data and DFT calculations: substituted hydropyrimidine derivatives.

Rykounov AA, Stash AI, Zhurov VV, Zhurova EA, Pinkerton AA, Tsirelson VG. Rykounov AA, et al. Acta Crystallogr B. 2011 Oct;67(Pt 5):425-36. doi: 10.1107/S0108768111033015. Epub 2011 Sep 16. Acta Crystallogr B. 2011. PMID: 21931212

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