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Ekaterina Bartashevich
Ekaterina Bartashevich
South Ural State University (Южно‐Уральский государственный университет)
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Towards crystal structure prediction of complex organic compounds–a report on the fifth blind test
DA Bardwell, CS Adjiman, YA Arnautova, E Bartashevich, SXM Boerrigter, ...
Acta Crystallographica Section B: Structural Science 67 (6), 535-551, 2011
4542011
Interplay between non-covalent interactions in complexes and crystals with halogen bonds
EV Bartashevich, VG Tsirelson
Russian Chemical Reviews 83 (12), 1181, 2014
1992014
Atoms-in-molecules study of intra-and intermolecular bonding in the pentaerythritol tetranitrate crystal
EA Zhurova, AI Stash, VG Tsirelson, VV Zhurov, EV Bartashevich, ...
Journal of the American Chemical Society 128 (45), 14728-14734, 2006
1462006
Characterizing the multiple non-covalent interactions in N, S-heterocycles–diiodine complexes with focus on halogen bonding
EV Bartashevich, YV Matveychuk, EA Troitskaya, VG Tsirelson
Computational and Theoretical Chemistry 1037, 53-62, 2014
75*2014
Determination of covalent bond orders and atomic valence indices using topological features of the experimental electron density
VG Tsirelson, EV Bartashevich, AI Stash, VA Potemkin
Acta Crystallographica Section B: Structural Science 63 (1), 142-150, 2007
632007
Halogen bonding and other iodine interactions in crystals of dihydrothiazolo (oxazino) quinolinium oligoiodides from the electron-density viewpoint
EV Bartashevich, ID Yushina, AI Stash, VG Tsirelson
Crystal growth & design 14 (11), 5674-5684, 2014
622014
Testing the tools for revealing and characterizing the iodine–iodine halogen bond in crystals
E Bartashevich, I Yushina, K Kropotina, S Muhitdinova, V Tsirelson
Acta Crystallographica Section B: Structural Science, Crystal Engineering …, 2017
562017
Electronic criterion for categorizing the chalcogen and halogen bonds: sulfur–iodine interactions in crystals
E Bartashevich, S Mukhitdinova, I Yushina, V Tsirelson
Acta Crystallographica Section B: Structural Science, Crystal Engineering …, 2019
522019
Characterizing the multiple non-covalent interactions in N, S-heterocycles–diiodine complexes with focus on halogen bonding
EV Bartashevich, YV Matveychuk, EA Troitskaya, VG Tsirelson
Computational and Theoretical Chemistry 1037, 53-62, 2014
482014
Raman spectroscopy study of new thia-and oxazinoquinolinium triodides
ID Yushina, BA Kolesov, EV Bartashevich
New Journal of Chemistry 39 (8), 6163-6170, 2015
442015
Atomic dipole polarization in charge-transfer complexes with halogen bonding
EV Bartashevich, VG Tsirelson
Physical Chemistry Chemical Physics 15 (7), 2530-2538, 2013
422013
The N⋯ I halogen bond in substituted pyridines as viewed by the source function and delocalization indices
EV Bartashevich, EA Troitskaya, VG Tsirelson
Chemical Physics Letters 601, 144-148, 2014
412014
A comparative view on the potential acting on an electron in a molecule and the electrostatic potential through the typical halogen bonds
E Bartashevich, V Tsirelson
Journal of Computational Chemistry 39 (10), 573-580, 2018
402018
Noncovalent bonds, spectral and thermal properties of substituted thiazolo [2, 3-b][1, 3] thiazinium triiodides
I Yushina, N Tarasova, D Kim, V Sharutin, E Bartashevich
Crystals 9 (10), 506, 2019
392019
A method for multiconformational modeling of the three‐dimensional shape of a molecule
EV Bartashevich, VA Potemkin, MA Grishina, AV Belik
Journal of Structural Chemistry 43, 1033-1039, 2002
392002
Identification of the tetrel bonds between halide anions and carbon atom of methyl groups using electronic criterion
E Bartashevich, Y Matveychuk, V Tsirelson
Molecules 24 (6), 1083, 2019
362019
QTAIMC study of the X–H/H⋯ O bond order indices (X= O, N, C) in molecular systems
EV Bartashevich, DK Nikulov, MV Vener, VG Tsirelson
Computational and Theoretical Chemistry 973 (1-3), 33-39, 2011
352011
Understanding the bifurcated halogen bonding N⋯ Hal⋯ N in bidentate diazaheterocyclic compounds
E Bartashevich, E Troitskaya, ÁM Pendás, V Tsirelson
Computational and Theoretical Chemistry 1053, 229-237, 2015
342015
Kinetic resolution of (±)-2, 3-dihydro-3-methyl-4H-1, 4-benzoxazine in the reaction with (S)-naproxen chloride: a theoretical study
VA Potemkin, VP Krasnov, GL Levit, EV Bartashevich, IN Andreeva, ...
Mendeleev Communications 14 (2), 69-71, 2004
322004
Генетический алгоритм для прогноза строения и свойств молекулярных агломератов в органических веществах
МА Гришина, ЕВ Барташевич, ВА Потёмкин, АВ Белик
Журн. структ. химии 43 (6), 1128-1133, 2002
322002
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