Can We Merge the Weak and Strong Tetrel Bonds? Electronic Features of Tetrahedral Molecules Interacted with Halide Anions
Bartashevich, Ekaterina V., Mukhitdinova, Svetlana E., Klyuev, Iliya V., Tsirelson, Vladimir G.
Published in Molecules (Basel, Switzerland) (24.08.2022)
Published in Molecules (Basel, Switzerland) (24.08.2022)
Get full text
Journal Article
The Distance between Minima of Electron Density and Electrostatic Potential as a Measure of Halogen Bond Strength
Chakalov, Edem R, Tupikina, Elena Yu, Ivanov, Daniil M, Bartashevich, Ekaterina V, Tolstoy, Peter M
Published in Molecules (Basel, Switzerland) (28.07.2022)
Published in Molecules (Basel, Switzerland) (28.07.2022)
Get full text
Journal Article
Covalent Organic Frameworks in Computational Design of Second-Harmonic Generation Materials: Role of Tetrel Atoms and Their Interactions
Yushina, Irina D., Masunov, Artëm E., Bartashevich, Ekaterina V.
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (26.09.2024)
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (26.09.2024)
Get full text
Journal Article
Determination of covalent bond orders and atomic valence indices using topological features of the experimental electron density
Tsirelson, Vladimir G., Bartashevich, Ekaterina V., Stash, Adam I., Potemkin, Vladimir A.
Published in Acta crystallographica. Section B, Structural science (01.02.2007)
Published in Acta crystallographica. Section B, Structural science (01.02.2007)
Get full text
Journal Article
Silatranes and germatranes as the systems with intramolecular tetrel bonds
Bartashevich, Ekaterina V., Regel, Roman L., Tsirelson, Vladimir G.
Published in Theoretical chemistry accounts (01.05.2024)
Published in Theoretical chemistry accounts (01.05.2024)
Get full text
Journal Article
Toward First-Principles Design of Organic Nonlinear Optical Materials: Crystal Structure Prediction and Halogen Bonding Impact on Hyperpolarizabilities of 2‑Iodo-3-hydroxypyridine
Yushina, Irina D, Masunov, Artëm E, Lopez, Diana, Dyakov, Alexander A, Bartashevich, Ekaterina V
Published in Crystal growth & design (05.09.2018)
Published in Crystal growth & design (05.09.2018)
Get full text
Journal Article
Halogen Bonding and Other Iodine Interactions in Crystals of Dihydrothiazolo(oxazino)quinolinium Oligoiodides from the Electron-Density Viewpoint
Bartashevich, Ekaterina V, Yushina, Irina D, Stash, Adam I, Tsirelson, Vladimir G
Published in Crystal growth & design (05.11.2014)
Published in Crystal growth & design (05.11.2014)
Get full text
Journal Article
The common trends for the halogen, chalcogen, and pnictogen bonds via sorting principles and local bonding properties
Bartashevich, Ekaterina V., Matveychuk, Yury V., Mukhitdinova, Svetlana E., Sobalev, Sergey A., Khrenova, Maria G., Tsirelson, Vladimir G.
Published in Theoretical chemistry accounts (01.02.2020)
Published in Theoretical chemistry accounts (01.02.2020)
Get full text
Journal Article
Raman spectroscopy study of new thia- and oxazinoquinolinium triodides
Yushina, Irina D, Kolesov, Boris A, Bartashevich, Ekaterina V
Published in New journal of chemistry (01.01.2015)
Published in New journal of chemistry (01.01.2015)
Get full text
Journal Article
First-Principles Crystal Engineering of Nonlinear Optical Materials. II. Effect of Halogen Bonds on the Structure and Properties of Triiodobenzenes
Masunov, Artëm E, Torres, Kevin, Dyakov, Alexander A, Yushina, Irina D, Bartashevich, Ekaterina V
Published in Journal of physical chemistry. C (04.10.2018)
Published in Journal of physical chemistry. C (04.10.2018)
Get full text
Journal Article
Acylative kinetic resolution of racemic methyl-substituted cyclic alkylamines with 2,5-dioxopyrrolidin-1-yl ()-2-phenoxypropanoate
Gruzdev, Dmitry A, Vakarov, Sergey A, Korolyova, Marina A, Bartashevich, Ekaterina V, Tumashov, Andrey A, Chulakov, Evgeny N, Ezhikova, Marina A, Kodess, Mikhail I, Levit, Galina L, Krasnov, Victor P
Published in Organic & biomolecular chemistry (26.01.2022)
Published in Organic & biomolecular chemistry (26.01.2022)
Get full text
Journal Article
Molecular dynamics simulation and experimental investigation of material and structural parameters of multicomponent ferroelectric liquid crystal mixture
Makarov, Gennady I., Bartashevich, Ekaterina V., Khnykina, Ksenia A., Podgornov, Fedor V.
Published in Journal of molecular liquids (01.06.2019)
Published in Journal of molecular liquids (01.06.2019)
Get full text
Journal Article
Comparison of non-covalent interactions and spectral properties in 1-methyl-3-methylthio-5-phenyl-1,2,4-triazinium mono- and tetraiodide crystals
Yushina, Irina D., Rudakov, Boris V., Stash, Adam I., Bartashevich, Ekaterina V.
Published in Structural chemistry (01.10.2019)
Published in Structural chemistry (01.10.2019)
Get full text
Journal Article