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Andrei V. Churakov
Researcher at Russian Academy of Sciences
Publications - 460
Citations - 5398
Andrei V. Churakov is an academic researcher from Russian Academy of Sciences. The author has contributed to research in topics: Crystal structure & Hydrogen bond. The author has an hindex of 30, co-authored 428 publications receiving 4483 citations. Previous affiliations of Andrei V. Churakov include University of Marburg & Florida State University.
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Intermolecular hydrogen bond energies in crystals evaluated using electron density properties: DFT computations with periodic boundary conditions
TL;DR: The linear relationship between Gb and EHB is basis set superposition error (BSSE) free and allows to estimate the H‐bond energy without computing it by means of the supramolecular approach, and the Gb value can be recommended to be obtained from both density functional theory (DFT) computations with periodic boundary conditions and precise X‐ray diffraction experiments.
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Pharmaceutical Cocrystals of Diflunisal and Diclofenac with Theophylline
Artem O. Surov,Alexander P. Voronin,Alex N. Manin,N. G. Manin,Lyudmila G. Kuzmina,Andrei V. Churakov,German L. Perlovich +6 more
TL;DR: Crystal lattice energy calculations showed that the packing energy gain of the [DIC + THP] cocrystal is derived mainly from the dispersion energy, which dominates the structures of the cocrystals.
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H-bond network in amino acid cocrystals with H2O or H2O2. The DFT study of serine-H2O and serine-H2O2.
Mikhail V. Vener,Alexander G. Medvedev,Andrei V. Churakov,Petr V. Prikhodchenko,Petr V. Prikhodchenko,Tatiana A. Tripol’skaya,Ovadia Lev +6 more
TL;DR: The quantum-topological analysis of the crystalline electron density enables us to describe quantitatively the H-bond network, which is much more complex in the title crystals than in a serine crystal.
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Pharmaceutical salts of ciprofloxacin with dicarboxylic acids
Artem O. Surov,Alex N. Manin,Alexander P. Voronin,Ksenia V. Drozd,Anna A. Simagina,Andrei V. Churakov,German L. Perlovich +6 more
TL;DR: New salts of antibiotic drug ciprofloxacin with pharmaceutically acceptable maleic (Mlt), fumaric (Fum) and adipic (Adp) acids were obtained and their crystal structures were determined.
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Structure and ion-complexing properties of an aza-15-crown-5 ether dye: synthesis, crystallography, NMR spectroscopy, spectrophotometry and potentiometry
Michael V. Alfimov,Andrei V. Churakov,Yury V. Fedorov,Olga A. Fedorova,Sergey P. Gromov,Ronald E. Hester,Judith A. K. Howard,Lyudmila G. Kuz’mina,Igor K. Lednev,John N. Moore +9 more
TL;DR: The perchlorate of 2-{2-[4-(13-aza-1,4,7,10-tetroxa-13-cyclopentadecyl)phenyl]ethenyl}-3-ethylbenzothiazolium (3) has been synthesised and its structure determined in the crystalline state by X-ray diffraction and in solution in acetonitrile by 1H NMR methods as mentioned in this paper.