Bartashevich Ekaterina Vladimirovna
  • Bartashevich Ekaterina Vladimirovna
  • Dr.Sc. (Chemistry), Professor, Chemistry Faculty, Subdepartment of Theoretical and Applied Chemistry, South Ural State University (National Research University), Chelyabinsk
  • Postal address: 454080, Russia, Chelyabinsk, Lenin ave., 76, room 407(1a)
  • Phone: +7 (351) 267-95-64
Yushina Irina Dmitrievna
  • Yushina Irina Dmitrievna
  • PhD, Researcher of Subdepartment of Organic Chemistry, researcher of Scientific-Educational Center “Nanotechnologies” South Ural State University (National Research University), Chelyabinsk
  • Postal address: 454080, Russia, Chelyabinsk, Lenin ave., 76, room 407(1a)
  • Phone: +7 (351) 267-95-64
Matveychuk Yury Vasilevich
  • Matveychuk Yury Vasilevich
  • PhD, Researcher of Chemical Department, Researcher, Multiscale Modelling of Multicomponent Functional Materials Laboratory SEC Nanotechnology, South Ural State University (National Research University), Chelyabinsk
  • Postal address: 454080, Russia, Chelyabinsk, Lenin ave., 76, room 407(1a)
  • Phone: +7 (351) 267-95-64
Batalov Vladimir Igorevich
  • Batalov Vladimir Igorevich
  • Researcher of Subdepartment of Organic Chemistry, South Ural State University (National Research University), Chelyabinsk
  • Postal address: 454080, Russia, Chelyabinsk, Lenin ave., 76, room 409(1a)
  • Phone: +7 (351) 267-95-64
Makarov Gennady
  • Makarov Gennady
  • PhD, Senior Researcher of Multiscale Modelling of Multicomponent Functional Materials Laboratory REC Nanotechnology, South Ural State University (National Research University), Chelyabinsk
  • Postal address: 454080, Russia, Chelyabinsk, Lenin ave., 76, room 207(1a)
Mukhitdinova Svetlana Eduardovna
  • Mukhitdinova Svetlana Eduardovna
  • Assistant Researcher of Subdepartment of Organic Chemistry of South Ural State University (National Research University), Chelyabinsk
  • Birth date: 29.04.1993
  • SPIN-code: 1997-8842
List of publications:
  • Title: The features of iodine loss at high temperatures
  • Author(s): Yushina I.D. , Pikhulya D.G. , Bartashevich E.V.
  • Source: Journal of Thermal Analysis and Calorimetry, 2019, 1-7.
  • DOI: 10.1007/s10973-019-08442-y
  • Title: Comparison of non-covalent interactions and spectral properties in 1-methyl-3-methylthio-5-phenyl-1,2,4-triazinium mono- and tetraiodide crystals
  • Author(s): Yushina I.D., Rudakov B.V., Stash A.I., Bartashevich E.V.
  • Source: Structural Chemistry, 2019.
  • DOI: 10.1007/s11224-019-01372-3
  • Title: Two new polymorphs of cis-perinone: crystal structures, physical and electric properties
  • Author(s): D. A. Zherebtsov, M. U. Schmidt, R. Niewa, C. P. Sakthidharan, F. V. Podgornov, Y. V. Matveychuk, S. A. Nayfert, M. A. Polozov, S. N. Ivashevskaya, A. I. Stash, Y.-S. Chen, D. E. Zhivulin, V. E. Zhivulin, S. V. Merzlov, E. V. Bartashevich, V. V. Avdin, H. S. Hsu and F. W. Guo
  • Source: Acta Crystallographica Section B, 2019, B75, 384-392. Published: JUNE 2019
  • DOI: 10.1107/S2052520619003287
  • Title: Effect of Substituents on Partial Photocatalytic Oxidation of Aromatic Alcohols Assisted by Polymeric C3N4
  • Author(s): I. Krivtsov, M. Ilkaeva, E. I. García-López, G. Marcì, L. Palmisano, E. Bartashevich, E. Grigoreva, K. Matveeva, E. Díaz, S. Ordóñez
  • Source: ChemCatChem, 2019, 11, 2713–2724. Published: MAY 2019
  • DOI: 10.1002/cctc.201900362
  • Title: Interplay of Intra- and Intermolecular Interactions in Solid Iodine at Low Temperatures: Experimental and Theoretic Spectroscopy Study
  • Author(s): I. D. Yushina, B. A. Kolesov
  • Source: Journal of Physical Chemistry A, 2019, 123, 21, 4575-4580. Published: MAY 2019
  • DOI: 10.1021/acs.jpca.9b01167
  • Title: Molecular Dynamics simulation and experimental investigation of material and structural parameters of multicomponent ferroelectric liquid crystal mixture
  • Author(s): Makarov G., Bartashevich E., Khnykina K., Podgornov F.
  • Source: Journal of Molecular Liquids, 2019, 283, 630-637. Published: MAR 2019
  • DOI: 10.1016/j.molliq.2019.03.096
  • Title: Identification of the Tetrel Bonds between Halide Anions and Carbon Atom of Methyl Groups Using Electronic Criterion
  • Author(s): Bartashevich E.V., Matveychuk Y.V., Tsirelson V.G.
  • Source: Molecules, 2019, 24, 1083. Published: MAR 2019
  • DOI: 10.3390/molecules24061083
  • Title: Electronic criterion for categorizing the chalcogen and halogen bonds: sulfur–iodine interactions in crystals.
  • Author(s): Bartashevich E.V., Mukhitdinova S.E., Yushina I.D., Tsirelson V.G.
  • Source: Acta Crystallographica Section B, 2019, B75, 117-126. Published: MAR 2019
  • DOI: 10.1107/S2052520618018280
  • Title: The Structure and Properties of 2, 3-7,8-Dibenzpyrene-1,6-Quinone.
  • Author(s): Zherebtsov D. A ., Nayfert S. A., Polozov M. A., Zhivulin D. E., Zhivulin V. E., Stash A. I., Chen Yu-Sheng, Merzlov S. V., Bartashevich E. V., Avdin V. V., Hsu Hua Shu , Guo Feng Wei, Sakthidharan C. P.
  • Source: Crystallography Reports, 2018, 63, 7, 1–6. Published: DEC 2018
  • DOI: DOI: 10.1134/S1063774518070283
  • Title: Metal-Involving Bifurcated Halogen Bonding C–Br···η2(Cl–Pt)
  • Author(s): U. Dabranskaya, D.M. Ivanov, A.S. Novikov, Y.V. Matveychuk, N.A. Bokach, V.Y. Kukushkin
  • Source: Crystal Growth & Design, 2019, 19, 1364-1376. Published: DEC 2018
  • DOI: 10.1021/acs.cgd.8b01757
  • Title: Bond order indices of iodine: from molecular complexes to crystals
  • Author(s): Mukhitdinova S.E., Bartashevich E.V., Tsirelson V.G.
  • Source: Journal of Structural Chemistry, 2018, 59, 8, 1966-1974. Published: DEC 2018
  • DOI: 10.26902/JSC20180819
  • Title: Contents listsavailable atScienceDirectBBA - General Subjectsjournal homepage:www.elsevier.com/locate/bbagenA noncanonical binding site of chloramphenicol revealed via moleculardynamics simulations
  • Author(s): G.I. Makarov, T.M. Makarova
  • Source: Biochimica et Biophysica Acta (BBA) - General Subjects, 2018, 1862, 12, 2940-2947. Published: SEP 2018
  • DOI: 10.1016/j.bbagen.2018.09.012
  • Title: First-Principles Crystal Engineering of Nonlinear Optical Materials. II. Effect of Halogen Bonds on the Structure and Properties of Triiodobenzenes
  • Author(s): Masunov A.E., Torres K., Dyakov A.A., Yushina I.D., Bartashevich E.V.
  • Source: J. Phys. Chem. C 2018, 122, 39, 22622-22631. Published: SEP 2018
  • DOI: 10.1021/acs.jpcc.8b04932
  • Title: Toward First-Principles Design of Organic Nonlinear Optical Materials: Crystal Structure Prediction and Halogen Bonding Impact on Hyperpolarizabilities of 2‑Iodo-3-hydroxypyridine
  • Author(s): Yushina I.D., Masunov A.E., Lopez D., Dyakov A.A., Bartashevich E.V.
  • Source: Cryst. Growth Des. 2018, 18, 9, 5069-5079. Published: AUG 2018
  • DOI: 10.1021/acs.cgd.8b00529
  • Title: Why are reactions of 2- and 8-thioquinoline derivatives with iodine different?
  • Author(s): Rudakov B.V., Stash A.I., Makarov G.I., Matveychuk Y.V., Zherebtsov D.A., Bartashevich E.V.
  • Source: Acta Crystallographica Section C: STRUCTURAL CHEMISTRY, 2018, C74, 974-980. Published: JUL 2018
  • DOI: 10.1107/S2053229618009385
  • Title: How the H‑Bond Layout Determines Mechanical Properties of Crystalline Amino Acid Hydrogen Maleates
  • Author(s): Matveychuk Y.V., Bartashevich E.V., Tsirelson V.G.
  • Source: Crystal Growth and Design, 2018, 18 (6), 3366–3375. Published: APR 2018
  • DOI: 10.1021/acs.cgd.8b00067
  • Title: A comparative view on the potential acting on an electron in a molecule and the electrostatic potential through the typical halogen bonds
  • Author(s): Bartashevich E.V., Tsirelson V.G.
  • Source: Journal of Computational Chemistry, 2018, 39 (10), 573-580. Published: FEB 2018
  • DOI: 10.1002/jcc.25112
  • Title: Modern level for properties prediction of iodine-containing organic compounds: the halogen bonds formed by iodine
  • Author(s): Bartashevich E.V., Grigoreva E.A., Yushina I.D., Bulatova L.M., Tsirelson V.G.
  • Source: Russian Chemical Bulletin, 2017, 66(8), 1345-1356. Published: DEC 2017
  • DOI: 10.1007/s11172-017-1898-1
  • Title: Carbon nitride assisted chemoselective C–H bond
  • Author(s): Ilkaeva M., Krivtsov I., Bartashevich E.V., Khainakov S.A., García J.R., Díaz E., Ordóñez S.
  • Source: Green Chemistry, 2017, 19, 4299–4304. Published: SEP 2017
  • DOI: 10.1039/c7gc01588g
  • Title: Asymmetric triiodide-diiodine interactions in the crystal of (Z)-4-chloro-5-((2-((4-chloro-5H-1,2,3-dithiazol-5-ylidene)amino)phenyl)amino)-1,2,3-dithiazol-1-ium oligoiodide
  • Author(s): Bol’shakov O.I., Yushina I.D., Bartashevich E.V., Nelyubina Y.V., Aysin R.R., Rakitin O.A.
  • Source: Structural Chemistry, 2017, 28(6), 1927-1934. Published: OCT 2017
  • DOI: 10.1007/s11224-017-0987-y
  • Title: Raman spectroscopy and theoretic study of hyperpolarizability effect in diiodobutenyl-bis-thioquinolinium triiodide at low temperature
  • Author(s): Yushina I. D., Batalov V. I., Bartashevich E. V., Davydov A. O., Zelenovskiy P. S., Masunov A. E.
  • Source: Journal of Raman Spectroscopy, 2017, 48(11), 1411-1413
  • DOI: 10.1002/jrs.5159
  • Title: Testing the Tools for Revealing and Characterizing the Iodine-Iodine Halogen Bond in Crystals
  • Author(s): Bartashevich E.V., Yushina I.D., Kropotina K.K., Muhitdinova S.E., Tsirelson V.G.
  • Source: Acta Crystallographica Section B. 2017. Volume: B73. Pages: 217–226. Published: MAR 2017
  • DOI: 10.1107/S2052520617002931
  • Title: The staple role of hydrogen and halogen bonds in crystalline (E)-8-((2,3-diiodo-4-(quinolin-8-ylthio)but-2-en-1-yl)thio)quinolin-1-ium triiodide
  • Author(s): Bartashevich E.V., Stash A.I., Batalov V.I., Yushina I.D., Drebushchak T.N., Boldyreva E.V., Tsirelson V.G.
  • Source: Structural Chemistry, 2016. Volume: 27. Issue: 5. Pages: 1553-1560. Published: JUN 2016
  • DOI: 10.1007/s11224-016-0785-y
  • Title: Allyl vs ethyl substituted thioquinoline complexes with diiodine: Halogen bonds and iodocyclization
  • Author(s): Matveychuk Y.V., Ilkaeva М.V., Vershinina E.A., Batalov V.I., Morozov R.S., Bartashevich E.V.
  • Source: Journal of Molecular Structure, 2016. Volume: 1119. Pages: 227-234. Published: APR 2016
  • DOI: 10.1016/j.molstruc.2016.04.072
  • Title: Combined approach to UV-Vis study of 2-allyl- and 2-ethylthioquinolines in various solutions
  • Author(s): Matveychuk Yu.V., Ilkaeva M.V., Vershinina E.A., Batalov V.I., Bartashevich E.V.
  • Source: Bulletin of the South Ural State University. Series «Chemistry». Volume: 8 Issue: 1 Pages: 34-40 Published: FEB 2016
  • DOI: 10.14529/chem160105
  • Title: Nontypical iodine–halogen bonds in the crystal structure of (3E)-8-chloro-3-iodomethylidene-2,3-dihydro-1,4-oxazino[2,3,4-ij]quinolin-4-ium triiodide
  • Author(s): Bartashevich E.V., Batalov V.I., Yushina I.D., Stash A.I., Chen Y.S.
  • Source: Acta Crystallographica Section C, 2016. Volume: 72. Pages: 341–345. Published: FEB 2016
  • DOI: 10.1107/S2053229616003934
  • Title: Electron delocalization indices as criteria for the identification of strong halogen bonds of iodine
  • Author(s): Bartashevich E.V., Nasibullina S.E., Tsirelson V.G.
  • Source: Journal of Structural Chemistry, 2015. Volume: 56. Issue: 6. Pages: 1223-1225. Published: JAN 2016
  • DOI: 10.1134/S0022476615060360
  • Title: Exploring heterocyclic cations ability to form the iodide–iodine halogen bond: case study of chalcogenazolo(ino)quinolinium crystals
  • Author(s): Bartashevich E.V., Nasibullina S.E., Bol’shakov O.I., Tsirelson V.G.
  • Source: Struct Chem, 2015. Volume: 27 Pages: 305-313. Published: NOV 2015
  • DOI: 10.1007/s11224-015-0714-5
  • Title: Raman spectroscopy study of new thia- and oxazinoquinolinium triodides
  • Author(s): Yushina I.D.; Kolesov B.A.; Bartashevich E.V.
  • Source: New Journal of Chemistry Volume: 39 Issue: 8 Pages: 6163-6170 Published: 2015
  • DOI: 10.1039/c5nj00497g
  • Title: Variations of structure modeling methods and RAMAN spectral characteristics for the iodine crystal
  • Author(s): Yushina I.D.; Bulatova L.M.; Nasibullina S.E.; Bartashevich E.V.
  • Source: Bulletin of the South Ural State University. Series «Chemistry». Volume: 7 Issue: 3 Pages: 25-32 Published: JUN 2015
  • Title: Comparative analysis of theoretical and experimental UV-spectra of 2- and 8-thioquinoline
  • Author(s): Matveychuk Y.V.; Ilkaeva M.V.; Krivtsov I.V.; Bartashevich E.V.
  • Source: Bulletin of the South Ural State University. Series «Chemistry». Volume: 7 Issue: 2 Pages: 45-55 Published: MAR 2015
  • Title: Understanding the bifurcated halogen bonding N center dot center dot center dot Hal center dot center dot center dot N in bidentate diazaheterocyclic compounds
  • Author(s): Bartashevich E.V.; Troitskaya E.A; Martin Pendas A.; Tsirelson V.G.
  • Source: Computational and Theoretical Chemistry Volume: 1053 Pages: 229-237 Published: FEB 1 2015
  • DOI: 10.1016/j.comptc.2014.09.024
  • Title: Halogen Bonding and Other Iodine Interactions in Crystals of Dihydrothiazolo(oxazino)quinolinium Oligoiodides from the Electron-Density Viewpoint
  • Author(s): Bartashevich E.V.; Yushina I.D.; Stash A.I.; Tsirelson V.G.
  • Source: Crystal Growth & Design Volume: 14 Issue: 11 Pages: 5674-5684 Published: NOV 2014
  • DOI: 10.1021/cg500958q
  • Title: Thermal decomposition of tetraalkylammonium iodides
  • Author(s): Yushina I.D.; Rudakov B.V.; Krivtsov I.V.; Bartashevich E.V.
  • Source: Journal of Thermal Analysis and Calorimetry Volume: 118 Issue: 1 Pages: 425-429 Published: OCT 2014
  • DOI: 10.1007/s10973-014-3944-7
  • Title: An anatomy of intramolecular atomic interactions in halogen-substituted trinitromethanes
  • Author(s): Bartashevich E.V.; Martin Pendas A.; Tsirelson V.G.
  • Source: Physical Chemistry Chemical Physics Volume: 16 Issue: 31 Pages: 16780-16789 Published: AUG 21 2014
  • DOI: 10.1039/c4cp01257g
  • Title: Crystal structure of (E)-3-(1-iodoethylidene)-2,3-dihydro-[1,4]thiazino-[2,3,4-ij]quinolin-4-ium triiodide, C13H11I4NS
  • Author(s): Batalov V.I.; Dikhtiarenko A.; Yushina I.D.; Bartashevich E.V.; Kim D.G.; García-Granda S.
  • Source: Zeitschrift Fur Kristallographie-New Crystal Structures Volume: 229 Issue: 3 Pages: 195-196 Published: AUG 2014
  • DOI: 10.1515/ncrs-2014-0096
  • Title: Crystal structure of (E)-3-(iodomethylene)-2,3-dihydro-[1,4]oxazino-[ 2,3,4-ij]quinolin-4-ium triodide – iodine (2:1), [C12H9INO]I-3 center dot 0.5I(2), C12H9I5NO
  • Author(s): Batalov V.I.; Kim D.G.; Dikhtiarenko A.; Zakariae A.; Bartashevich E.V.; García-Granda S.
  • Source: Zeitschrift Fur Kristallographie-New Crystal Structures Volume: 229 Issue: 3 Pages: 211-212 Published: AUG 2014
  • DOI: 10.1515/ncrs-2014-0106
  • Title: Crystal structure of 8,10-diiodo-3-(iodomethyl)-2,3-dihydro-[1,4]oxazino-[2,3,4-ij]quinolin-4-ium triiodide, [C12H9I3NO]center dot I-3, C12H9I6NO
  • Author(s): Batalov V.I.; Dikhtiarenko A.; Yushina I. D.; Bartashevich E.V.; Kim D.G.; García-Granda S.
  • Source: Zeitschrift Fur Kristallographie-New Crystal Structures Volume: 229 Issue: 3 Pages: 213-214 Published: AUG 2014
  • DOI: 10.1515/ncrs-2014-0107
  • Title: Characterizing the multiple non-covalent interactions in N, S-heterocycles-diiodine complexes with focus on halogen bonding
  • Author(s): Bartashevich E.V.; Matveychuk Y.V.; Troitskaya E.A.; Tsirelson V.G.
  • Source: Computational and Theoretical Chemistry Volume: 1037 Pages: 53-62 Published: JUN 1 2014
  • DOI: 10.1016/j.comptc.2014.04.006
  • Title: Interplay between non-covalent interactions in complexes and crystals with halogen bonds
  • Author(s): Bartashevich E.V., Tsirelson V.G.
  • Source: Russian Chemical Reviews Volume: 83 Issue: 12 Pages: 1181-1203 Published: 2014
  • DOI: 10.1070/RCR4440
  • Title: The N … I halogen bond in substituted pyridines as viewed by the source function and delocalization indices
  • Author(s): Bartashevich E.V.; Troitskaya E. A.; Tsirelson V.G.
  • Source: Chemical Physics Letters Volume: 601 Pages: 144-148 Published: MAY 9 2014
  • DOI: 10.1016/j.cplett.2014.04.004
  • Title: Energy properties and structure of 2-and 8-allylthioquinoline complexes with iodine
  • Author(s): Bartashevich E.V.; Shmanina E.A.; Yushina I.D.; Tsirelson V.G.; Kim D.G.
  • Source: Journal of Structural Chemistry Volume: 55 Issue: 1 Pages: 154-160 Published: JAN 2014
  • DOI: 10.1134/S0022476614010272
  • Title: Complex structure tri- and polyiodides of iodocyclization products of 2-allylthioquinoline
  • Author(s): Bartashevich E.V.; Yushina I.D.; Vershinina E.A.; Slepukhin P.A.; Kim D.G.
  • Source: Journal of Structural Chemistry Volume: 55 Issue: 1 Pages: 112-119 Published: JAN 2014
  • DOI: 10.1134/S0022476614010181
  • Title: Atomic dipole polarization in charge-transfer complexes with halogen bonding
  • Author(s): Bartashevich E.V.; Tsirelson V.G.
  • Source: Physical Chemistry Chemical Physics Volume: 15 Issue: 7 Pages: 2530-2538 Published: 2013
  • DOI: 10.1039/c2cp43416d
  • Title: Towards crystal structure prediction of complex organic compounds – a report on the fifth blind test
  • Author(s): Bardwell D.A.; Adjiman C.S.; Arnautova Y.A.; Adjiman, C.S.; Bartashevich E.V.; Boerrigter S.X.M.; Braun D.E.; Cruz-Cabeza A.J.; Day G.M.; Della Valle R.G.; Desiraju G.R.; van Eijck B.P.; Facelli, J.C.; Ferraro M.B.; Grillo D.; Habgood M.; Hofmann D.W.M.; Hofmann F.; Jose K.V.J.; Karamertzanis P.G.; Kazantsev A.V.; Kendrick J.; Kuleshova L.N.; Leusen F.J.J.; Maleev A.V.; Misquitta A.J.; Mohamed S.; Needs R.J.; Neumann M.A.; Nikylov D.K., Orendt A.M.; Pal R.; Pantelides C.C.; Pickard C.J.; Price L.S.; Price S.L.; Scheraga H.A.; van de Streek J.; Thakur T.S.; Tiwari S.; Venuti E.; Zhitkov I.K.
  • Source: Acta Crystallographica Section B-Structural Science Crystal Engineering and Materials Volume: 67 Pages: 535-551 Published: DEC 2011
  • DOI: 10.1107/S0108768111042868
  • Title: QTAIMC study of the X-H/H center dot center dot center dot O bond order indices (X=O, N, C) in molecular systems
  • Author(s): Bartashevich E.V.; Nikulov D.K.; Vener M.V.; Tsirelson V.G.
  • Source: Computational and Theoretical Chemistry Volume: 973 Issue: 1-3 Pages: 33-39 Published: OCT 15 2011
  • DOI: 10.1016/j.comptc.2011.06.025
  • Title: Pre-organization of diarylideneacetonyl crownophanes in single crystals to photochemical transformations
  • Author(s): Ovchinnikova I.G.; Nikulov D.K.; Bartashevich E.V.; Matochkina E.G.; Kodess M.I.; Slepukhin P.A.; Druzhinin A.V.; Fedorova O.V.; Rusinov G.L.; Charushin V.N.
  • Source: Russian Chemical Bulletin Volume: 60 Issue: 5 Pages: 824-840 Published: MAY 2011
  • DOI: 10.1007/s11172-011-0131-x
  • Title: Changes in the vibrational characteristics of substituted 1,2,4,5-tetrazines after complexation with 1,2,3-benzotriazole: A theoretical study
  • Author(s): Ivshina N.N.; Bartashevich E.V.; Potemkin V.A.; M. A. Grishina; Ishmetova R.I.; Rusinov G.L.; Latosh N.I.; Slepukhin P.A.; Charushin V.N.
  • Source: Journal of Structural Chemistry Volume: 50 Issue: 6 Pages: 1053-1058 Published: DEC 2009
  • DOI: 10.1007/s10947-009-0155-3
  • Title: Intermolecular interactions and structural dichotomy in 1,3,2,4-benzodithiadiazine crystals
  • Author(s): Bagryanskaya I.Y.; Bartashevich E.V.; Nikulov D.K.; Gatilov Y.V.; Zibarev A.V.
  • Source: Journal of Structural Chemistry Volume: 50 Issue: 1 Pages: 127-136 Published: FEB 2009
  • DOI: 10.1007/s10947-009-0017-z
  • Title: Determination of covalent bond orders and atomic valence indices using topological features of the experimental electron density
  • Author(s): Author(s): Tsirelson V.G; Bartashevich E.V; Stash A.I; Potemkin V.A.
  • Source: Acta crystallographica. Section B, Structural science Volume: 63 Issue: Pt 1 Pages: 142-50 Published: 2007-Feb
  • DOI: 10.1107/S0108768106046003
  • Title: Atoms-in-molecules study of intra- and intermolecular bonding in the pentaerythritol tetranitrate crystal
  • Author(s): Zhurova E.A; Stash A.I; Tsirelson V.G; Zhurov V.V.; Bartashevich E.V.; Potemkin V.A.; Pinkerton A.A.
  • Source: Journal of the American Chemical Society Volume: 128 Issue: 45 Pages: 14728-34 Published: 2006-Nov-15
  • DOI: 10.1021/ja0658620
  • Title: A quantum topological study of the electron density in monomers and dimers of acyclic azathiens with aromatic substituents
  • Author(s): Bartashevich E.V.; Abdrakhmanova M.R.; Potemkin V.A.; Bagryanskaya I.Y.
  • Source: Journal of Structural Chemistry Volume: 47 Issue: 1 Pages: 114-119 Published: JAN-FEB 2006
  • DOI: 10.1007/s10947-006-0275-y
  • Title: [The modeling of interactions of the CYP2E1 isoform of human cytochrome P450 with substrates]
  • Author(s): Potemkin V.A.; Grishina M.A.; Bartashevich E.V.; Zrakova T.I.; Pogrebnoy
  • Source: Biofizika Volume: 50 Issue: 3 Pages: 418-22 Published: 2005 May-Jun
  • Title: An alternative method for 3D-QSAR and the alignment of molecular structures: BiS (Biological Substrate Search)
  • Author(s): Potemkin V.A.; Bartashevich E.V.; Grishina M.A.; et al.
  • Source: Rational Approaches To Drug Design Pages: 349-353 Published: 2001
  • Title: A model for calculating the atomic volumetric characteristics in molecular systems
  • Author(s): Potemkin V.A.; Bartashevich E.V.; Belik A.V.
  • Source: Zhurnal Fizicheskoi Khimii Volume: 72 Issue: 4 Pages: 650-656 Published: APR 1998
  • Title: A new approach to predicting the thermodynamic parameters of substances from molecular characteristics
  • Author(s): Potemkin V.A.; Bartashevich E.V.; Belik A.V.
  • Source: Zhurnal Fizicheskoi Khimii Volume: 70 Issue: 3 Pages: 448-452 Published: MAR 1996
  • Title: Calculation of atomic radii with correction for electrostatic interactions
  • Author(s): Potemkin V.A.; Bartashevich E.V.; Belik A.V.
  • Source: Zhurnal Fizicheskoi Khimii Volume: 69 Issue: 1 Pages: 106-109 Published: JAN 1995
  • Title: Registration of dipole-dipole interactions in the problem of substance density prognosis
  • Author(s): Potemkin V.A.; Bartashevich E.V.; Belik A.V.
  • Source: Zhurnal Fizicheskoi Khimii Volume: 68 Issue: 6 Pages: 1000-1003 Published: JUN 1994
Conferences:
  • Title: Chalcogen and halogen bonding in case of multiple I…I and I…S interactions with ambiguous mutual orientations
  • Author(s): Yushina I.D., Tarasova N.M., Bartashevich E.V.
  • Source: 31st European Crystallographic Meeting, 22-27 August, Oviedo, Spain
  • Title: Characterizing the halogen and chalcogen bonds in crystals: PAEM vs ESP
  • Author(s): Bartashevich E.V., Mukhitdinova S.E., Tsirelson V.G.
  • Source: The International Union of Crystallography (IUCr's) Sagamore XIX - 2018 Conference on Quantum Crysallography, 07-13 July, Halifax, Canada
  • Title: The quantitative criteria for the electrophilic properties of halogens and chalcogens at their co-presence in crystals
  • Author(s): Bartashevich E.V., Yushina I.D., Tsirelson V.G.
  • Source: 3rd International Symposium on Halogen Bonding (ISXB3), June 10th - 14th, 2018, Greenville, SC, USA
  • Title: Influence of the halogen bonds in context of crystal structure prediction problem
  • Author(s): Dyakov A. A., Bartashevich E. V., Masunov A. E.
  • Source: 3rd International Symposium on Halogen Bonding (ISXB3), June 10th - 14th, 2018, Greenville, SC, USA
  • Title: Revealing the Common Trends for Non-Covalent Interactions with the Various Electrophilic Sites
  • Author(s): Bartashevich E.V., Muhitdinova S.E., Tsirelson V.G.
  • Source: IUPAC Workshop@ISXB‐3 June 9th - 10th, 2018, Greenville, SC, USA
  • Title: THE RELATIONSHIPS BETWEEN IODINE COVALENT AND HALOGEN BONDS FEATURES
  • Author(s): Mukhitdinova S., Grigoreva E., Yushina I., Bartashevich E.
  • Source: III Летняя школа по хемоинформатике, 5-7 июля 2017, Казань, Россия
  • Title: ASYMMETRICAL TRIIODIDE ANION AS A PARTICIPANT OF THE HALOGEN BONDING IN CRYSTALS
  • Author(s): Kropotina K.K., Yushina I.D., Bartashevich E.V.
  • Source: X International conference of young scientists on chemistry «Mendeleev-2017», April 4-7, 2017, Saint Petersburg, Russia
  • Title: THE PNICTOGEN BONDING BETWEEN NITRO-GROUPS IN CRYSTALS
  • Author(s): Sobalev S.A., Matveychuk Y.V., Bartashevich E.V.
  • Source: X International conference of young scientists on chemistry «Mendeleev-2017», April 4-7, 2017, Saint Petersburg, Russia
  • Title: MAKING SUBATOMIC ELECTRONIC DESCRIPTORS PREDICTIVE: THE CASE OF HALOGEN BONDS
  • Author(s): Bartashevich E.V., Grigoreva E.A., Yushina I.D., Tsirelson V.G.
  • Source: XX Mendeleev Congress on General and Applied Chemistry, September 26-30, 2016, Ekaterinburg, Russia
  • Title: QUANTITATIVE TRENDS IN THERMAL AND SPECTRAL PROPERTIES FOR ORGANIC POLYIODIDES CONTAINING I2
  • Author(s): Yushina I.D., Mikhailov S.A., Bartashevich E.V.
  • Source: XX Mendeleev Congress on General and Applied Chemistry, September 26-30, 2016, Ekaterinburg, Russia
  • Title: Revealing the Nature of Iodine Bond Diversity within the Triiodide Anions in Crystals
  • Author(s): Bartashevich E.V., Yushina I.D., Kropotina K.K., Tsirelson V.G.
  • Source: European Symposium on Chemical Bonding (ESCB1), 29 August – 2 September 2016, Rouen, France
  • Title: Categorizing of organic polyiodides according to theoretical and experimental Raman data
  • Author(s): Yushina I.D., Bartashevich E.V., Kolesov B.A.
  • Source: XII International Conference GeoRaman-2016, 9-15 June, 2016, Novosibirsk, Russia
  • Title: Targeting the iodine halogen bond: the role of C-I covalent interactions
  • Author(s): Bartashevich E.V., Batalov V.I., Yushina I.D., Tsirelson V.G.
  • Source: 2nd International Symposium on Halogen Bonding (ISXB-2), 6-10 June, 2016, Gothenburg, Sweden
  • Title: Thiazoloquinolinium iodides according to Raman spectroscopy data
  • Author(s): Yushina I.D.; Bartashevich E.V.; Pikhulya D.G.
  • Source: International workshop MODERN NANO-TECHNOLOGIES, August 27-29, 2015, Ekaterinburg, Russia
  • Title: Charge Density Study of Iodide – Iodine Interactions in Chalcogenazolo-(ino)quinolinium Oligoiodide Crystals
  • Author(s): Bartashevich E.V.; Yushina I.D.; Stash A.I.; Tsirelson V.G.
  • Source: SAGAMORE XVIII Charge, Spin and Momentum Densities June 7-12, 2015, Sardinia, Italy
  • Title: Characteristics of halogen bonds in the crystal of iodine with relativistic effects
  • Author(s): Bulatova L.M.; Yushina I.D.; Bartashevich E.V.
  • Source: IX International conference of young scientists on chemistry «Mendeleev-2015», April 7-10, 2015, Saint Petersburg, Russia
  • Title: Analysis of halogen bonds of iodine in organic crystals from dimeric approach
  • Author(s): Nasibullina S.E.; Bartashevich E.V.
  • Source: IX International conference of young scientists on chemistry «Mendeleev-2015», April 7-10, 2015, Saint Petersburg, Russia
  • Title: Non-Covalent Interatomic Interactions in Crystals of Halogen-Substituted Trinitromethanes
  • Author(s): Bartashevich E.V.; Stash A.I.; Tsirelson V.G.
  • Source: Atomistic Simulation of Functional Materials (ASFM 2014), December 9-10, 2014, Moscow, Russia
  • Title: Advances and drawbacks of quantum topological approaches: QTAIMC vs NCI
  • Author(s): Bartashevich E.V.; Yushina I.D.; Galushko A.S.; Stash A.I.; Tsirelson V.G.
  • Source: V.A. Fock Meeting on Quantum and Computational Chemistry, August 18-22, 2014, Samara, Russia
  • Title: The Source Function and Delocalization Indices for N⋅⋅⋅I Halogen Bonds in Substituted N-heterocycles
  • Author(s): Troitskaya E.A.; Bartashevich E.V.; Danilova D.M.; Tsirelson V.G.
  • Source: First International Symposium on Halogen Bonding (ISXB-1), 18-22 June 2014, Porto Cesareo, Italy
  • Title: The Iodine Halogen Bonding And Other Non-Covalent Interactions In Tricyclic Quinolinium Polyiodides
  • Author(s): Bartashevich E.V.; Yushina I.D.; Stash A.I.; Tsirelson V.G.
  • Source: First International Symposium on Halogen Bonding (ISXB-1), 18-22 June 2014, Porto Cesareo, Italy
  • Title: Thermal decomposition of tetramethylammonium pentaiodide
  • Author(s): Yushina I.D.; Krivtsov I.V.; Bartashevich E.V.
  • Source: 2nd Central and Eastern European Conference on Thermal Analysis and Calorimetry, August 27-30, 2013, Vilnius, Lithuania
  • Title: Thermal properties of substituted 8-thio- and oxyquinolinium polyiodides
  • Author(s): Yushina I.D.; Batalov V.I.; Kim D.G.; Bartashevich E.V.
  • Source: 2nd Central and Eastern European Conference on Thermal Analysis and Calorimetry, August 27-30, 2013, Vilnius, Lithuania
  • Title: Characterizing noncovalent interactions in N,S-heterocycle complexes with iodine
  • Author(s): Bartashevich E.V.; Yushina I.D.; Tsirelson V.G.
  • Source: Methods and Applications of Computational Chemistry Fifth Symposium, 1-5 July 2013, Kharkiv, Ukraine
  • Title: The charge-density study of specificity of the atomic interactions in iodine – allylthio(oxy)quinoline complexes
  • Author(s): Bartashevich E.V.; Kim D.G.; Tsirelson V.G.
  • Source: European Charge Density Meeting – ECDM6. September 15-20, 2012, Štrbské Pleso, Slovakia.
  • Title: Thermal properties of organic polyiodides with N-alkylurotropinium cation
  • Author(s): Yushina I.D.; Bartashevich E.V.; Zherebtsov D.A.
  • Source: 1st Central and Eastern European Committee for Thermal Analysis and Calorimetry CEEC-TAC, 7-10 September, 2011, Craiova, Romania
  • Title: Thermal properties of 1-iodmethyl-1,2-dihydro[1,3]-thiasolo[3,2-a]quinolinium poliodides
  • Author(s): Yushina I.D.; Bartashevich E.V.; Zherebtsov D.A.; Vershinina E.A.; Kim D.G.
  • Source: 1st Central and Eastern European Committee for Thermal Analysis and Calorimetry CEEC-TAC, 7-10 September, 2011, Craiova, Romania