Atomic dipole polarization in charge-transfer complexes with halogen bonding von Bartashevich, E. V, Tsirelson, V. G

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Interplay between non-covalent interactions in complexes and crystals with halogen bonds von Bartashevich, E V, Tsirelson, V G

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Intermolecular hydrogen bond energies in crystals evaluated using electron density properties: DFT computations with periodic boundary conditions von Vener, M. V., Egorova, A. N., Churakov, A. V., Tsirelson, V. G.

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Formation of nanoaggregates in white phosphorus solutions von Tarasova, N. P, Tsirel'son, V. G, Vener, M. V, Smetannikov, Yu. V, Rykunov, A. A, Vilesov, A. S

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Parametric Evaluation of the Energy of Tetrel Bonds in Complexes of Tetrahedral Molecules with Ammonia and Halide Anions von Bartashevich, E. V., Mukhitdinova, S. E., Klyuev, I. V., Tsirelson, V. G.

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SIMULATION OF THE COMPRESSIBILITY OF ISOSTRUCTURAL HALOGEN CONTAINING CRYSTALS ON MACRO- AND MICROLEVELS von Bartashevich, E. V., Sobalev, S. A., Matveychuk, Yu. V., Tsirelson, V. G.

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On the transferability of QTAIMC descriptors derived from X-ray diffraction data and DFT calculations: substituted hydropyrimidine derivatives von Rykounov, A. A., Stash, A. I., Zhurov, V. V., Zhurova, E. A., Pinkerton, A. A., Tsirelson, V. G.

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Effect of Substituents in Hydrolyzed Cephalosporins on Intramolecular O–H···N Bond von Levina, E. O., Khrenova, M. G., Tsirelson, V. G.

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QTAIM Study of Strong H-Bonds with the O−H···A Fragment (A = O, N) in Three-Dimensional Periodical Crystals von Vener, M. V, Manaev, A. V, Egorova, A. N, Tsirelson, V. G

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Bond Order Indices of Iodine: From Molecular Complexes to Crystals von Mukhitdinova, S. E., Bartashevich, E. V., Tsirelson, V. G.

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Electronic Steric Factors in the Active Site of Metallo-β-Lactamase and Reactivity of Cephalosporin Antibiotics von Khrenova, M. G., Tomilko, A. V., Tsirelson, V. G.

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Modern level for properties prediction of iodine-containing organic compounds: the halogen bonds formed by iodine von Bartashevich, E. V., Grigoreva, E. A., Yushina, I. D., Bulatova, L. M., Tsirelson, V. G.

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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 von Bartashevich, E. V., Stash, A. I., Batalov, V. I., Yushina, I. D., Drebushchak, T. N., Boldyreva, E. V., Tsirelson, V. G.

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Exploring heterocyclic cations ability to form the iodide–iodine halogen bond: case study of chalcogenazolo(ino)quinolinium crystals von Bartashevich, E. V., Nasibullina, S. E., Bol’shakov, O. I., Tsirelson, V. G.

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Quantitative Analysis of the Electrostatic Potential in Rock-Salt Crystals Using Accurate Electron Diffraction Data von Tsirelson, V. G, Avilov, A. S, Lepeshov, G. G, Kulygin, A. K, Stahn, J, Pietsch, U, Spence, J. C. H

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The chemical bond and atomic displacements in SrTiO3 from X-ray diffraction analysis von Abramov, Yu. A., Tsirelson, V. G., Zavodnik, V. E., Ivanov, S. A., Brown I. D.

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Multipole analysis of the electron density in triphylite, LiFePO4, using X-ray diffraction data von Streltsov, V. A., Belokoneva, E. L., Tsirelson, V. G., Hansen, N. K.

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The role played by the amino and carboxyl groups in the formation of the geometric and electronic structure of phenoxy substituted cyclophosphazenes von Bobrov, M. F., Tsirel’son, V. G.

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DFT study of H-bonds in the peptide secondary structures: The backbone–side-chain and polar side-chains interactions von Vener, M.V., Egorova, A.N., Fomin, D.P., Tsirelson, V.G.

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X-ray and Electron Diffraction Study of MgO von Tsirelson, V. G., Avilov, A. S., Abramov, Yu. A., Belokoneva, E. L., Kitaneh, R., Feil, D.

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