Towards crystal structure prediction of complex organic compoundsa 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 | 479 | 2011 |
Interplay between non-covalent interactions in complexes and crystals with halogen bonds EV Bartashevich, VG Tsirelson Russian Chemical Reviews 83 (12), 1181, 2014 | 213 | 2014 |
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 | 148 | 2006 |
Characterizing the multiple non-covalent interactions in N, S-heterocyclesdiiodine complexes with focus on halogen bonding EV Bartashevich, YV Matveychuk, EA Troitskaya, VG Tsirelson Computational and Theoretical Chemistry 1037, 53-62, 2014 | 79* | 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 | 64 | 2007 |
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 | 63 | 2014 |
Electronic criterion for categorizing the chalcogen and halogen bonds: sulfuriodine interactions in crystals E Bartashevich, S Mukhitdinova, I Yushina, V Tsirelson Acta Crystallographica Section B: Structural Science, Crystal Engineering
, 2019 | 62 | 2019 |
Testing the tools for revealing and characterizing the iodineiodine halogen bond in crystals E Bartashevich, I Yushina, K Kropotina, S Muhitdinova, V Tsirelson Acta Crystallographica Section B: Structural Science, Crystal Engineering
, 2017 | 58 | 2017 |
Raman spectroscopy study of new thia-and oxazinoquinolinium triodides ID Yushina, BA Kolesov, EV Bartashevich New Journal of Chemistry 39 (8), 6163-6170, 2015 | 47 | 2015 |
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 | 45 | 2018 |
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 | 43 | 2019 |
Atomic dipole polarization in charge-transfer complexes with halogen bonding EV Bartashevich, VG Tsirelson Physical Chemistry Chemical Physics 15 (7), 2530-2538, 2013 | 43 | 2013 |
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 | 42 | 2014 |
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 | 39 | 2019 |
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 | 38 | 2002 |
QTAIMC study of the XH/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 | 35 | 2011 |
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 | 31 | 2004 |
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 | 31 | 2002 |
A new approach to predicting the thermodynamic parameters of substances from molecular characteristics VA Potemkin, EV Bartashevich, AV Belik Russian Journal of Physical Chemistry A 70 (3), 411-415, 1996 | 31 | 1996 |
Effect of Substituents on Partial Photocatalytic Oxidation of Aromatic Alcohols Assisted by Polymeric C3N4 I Krivtsov, M Ilkaeva, EI García‐López, G Marcì, L Palmisano, ... ChemCatChem 11 (11), 2713-2724, 2019 | 30 | 2019 |