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Atomic dipole polarization in charge-transfer complexes with halogen bonding

Physical chemistry chemical physics : PCCP, 2013-02, Vol.15 (7), p.253-2538

2013

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Interplay between non-covalent interactions in complexes and crystals with halogen bonds

Russian chemical reviews, 2014-01, Vol.83 (12), p.1181-1203

2014

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Intermolecular hydrogen bond energies in crystals evaluated using electron density properties: DFT computations with periodic boundary conditions

Journal of computational chemistry, 2012-11, Vol.33 (29), p.2303-2309

2012

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Formation of nanoaggregates in white phosphorus solutions

Doklady. Chemistry, 2009-11, Vol.429 (1), p.264-267

2009

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Parametric Evaluation of the Energy of Tetrel Bonds in Complexes of Tetrahedral Molecules with Ammonia and Halide Anions

Russian Journal of Physical Chemistry A, 2023-11, Vol.97 (11), p.2449-2456

2023

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SIMULATION OF THE COMPRESSIBILITY OF ISOSTRUCTURAL HALOGEN CONTAINING CRYSTALS ON MACRO- AND MICROLEVELS

Journal of structural chemistry, 2021-10, Vol.62 (10), p.1607-1620

2021

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On the transferability of QTAIMC descriptors derived from X-ray diffraction data and DFT calculations: substituted hydropyrimidine derivatives

Acta crystallographica. Section B, Structural science, 2011-10, Vol.67 (5), p.425-436

2011

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Effect of Substituents in Hydrolyzed Cephalosporins on Intramolecular O–H···N Bond

Russian Journal of Physical Chemistry A, 2020-05, Vol.94 (5), p.925-932

2020

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QTAIM Study of Strong H-Bonds with the O−H···A Fragment (A = O, N) in Three-Dimensional Periodical Crystals

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2007-02, Vol.111 (6), p.1155-1162

2007

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Bond Order Indices of Iodine: From Molecular Complexes to Crystals

Journal of structural chemistry, 2018-12, Vol.59 (8), p.1903-1910

2018

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Electronic Steric Factors in the Active Site of Metallo-β-Lactamase and Reactivity of Cephalosporin Antibiotics

Moscow University chemistry bulletin, 2019-05, Vol.74 (3), p.106-110

2019

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Modern level for properties prediction of iodine-containing organic compounds: the halogen bonds formed by iodine

Russian chemical bulletin, 2017-08, Vol.66 (8), p.1345-1356

2017

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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

Structural chemistry, 2016-10, Vol.27 (5), p.1553-1560

2016

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Exploring heterocyclic cations ability to form the iodide–iodine halogen bond: case study of chalcogenazolo(ino)quinolinium crystals

Structural chemistry, 2016-02, Vol.27 (1), p.305-313

2016

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Quantitative Analysis of the Electrostatic Potential in Rock-Salt Crystals Using Accurate Electron Diffraction Data

The journal of physical chemistry. B, 2001-05, Vol.105 (21), p.5068-5074

2001

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The chemical bond and atomic displacements in SrTiO3 from X-ray diffraction analysis

Acta crystallographica. Section B, Structural science, 1995-12, Vol.51 (6), p.942-951

1995

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Multipole analysis of the electron density in triphylite, LiFePO4, using X-ray diffraction data

Acta crystallographica. Section B, Structural science, 1993-04, Vol.49 (2), p.147-153

1993

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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

Russian Journal of Physical Chemistry A, 2008-12, Vol.82 (12), p.2103-2110

2008

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DFT study of H-bonds in the peptide secondary structures: The backbone–side-chain and polar side-chains interactions

Journal of molecular structure, 2010-05, Vol.972 (1), p.11-15

2010

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X-ray and Electron Diffraction Study of MgO

Acta crystallographica. Section B, Structural science, 1998-02, Vol.54 (1), p.8-17

1998

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A quantum-topological analysis of noncovalent interactions in secondary polyalanine structures

Russian journal of physical chemistry. B, 2009-08, Vol.3 (4), p.541-547

2009

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Molecular and crystal properties of ethyl 4,6-dimethyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate from experimental and theoretical electron densities

Acta crystallographica. Section B, Structural science, 2006-08, Vol.62 (4), p.676-688

2006

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Mono-and diphenoxy-substituted cyclotriphosphazenes: The molecular structure and interatomic interactions

Russian Journal of Physical Chemistry A, 2008-08, Vol.82 (8), p.1295-1302

2008

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Specific features of the extra strong intermolecular hydrogen bonds in crystals: Insights from the theoretical charge density analysis

Chemical physics letters, 2015-10, Vol.638, p.233-236

2015

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Characterizing the multiple non-covalent interactions in N, S-heterocycles–diiodine complexes with focus on halogen bonding

Computational and theoretical chemistry, 2014-06, Vol.1037, p.53-62

2014

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Atomic dipole polarization in charge-transfer complexes with halogen bonding

Interplay between non-covalent interactions in complexes and crystals with halogen bonds

Intermolecular hydrogen bond energies in crystals evaluated using electron density properties: DFT computations with periodic boundary conditions

Formation of nanoaggregates in white phosphorus solutions

Parametric Evaluation of the Energy of Tetrel Bonds in Complexes of Tetrahedral Molecules with Ammonia and Halide Anions

SIMULATION OF THE COMPRESSIBILITY OF ISOSTRUCTURAL HALOGEN CONTAINING CRYSTALS ON MACRO- AND MICROLEVELS

On the transferability of QTAIMC descriptors derived from X-ray diffraction data and DFT calculations: substituted hydropyrimidine derivatives

Effect of Substituents in Hydrolyzed Cephalosporins on Intramolecular O–H···N Bond

QTAIM Study of Strong H-Bonds with the O−H···A Fragment (A = O, N) in Three-Dimensional Periodical Crystals

Bond Order Indices of Iodine: From Molecular Complexes to Crystals

Electronic Steric Factors in the Active Site of Metallo-β-Lactamase and Reactivity of Cephalosporin Antibiotics

Modern level for properties prediction of iodine-containing organic compounds: the halogen bonds formed by iodine

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

Exploring heterocyclic cations ability to form the iodide–iodine halogen bond: case study of chalcogenazolo(ino)quinolinium crystals

Quantitative Analysis of the Electrostatic Potential in Rock-Salt Crystals Using Accurate Electron Diffraction Data

The chemical bond and atomic displacements in SrTiO3 from X-ray diffraction analysis

Multipole analysis of the electron density in triphylite, LiFePO4, using X-ray diffraction data

The role played by the amino and carboxyl groups in the formation of the geometric and electronic structure of phenoxy substituted cyclophosphazenes

DFT study of H-bonds in the peptide secondary structures: The backbone–side-chain and polar side-chains interactions

X-ray and Electron Diffraction Study of MgO

A quantum-topological analysis of noncovalent interactions in secondary polyalanine structures

Molecular and crystal properties of ethyl 4,6-dimethyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate from experimental and theoretical electron densities

Mono-and diphenoxy-substituted cyclotriphosphazenes: The molecular structure and interatomic interactions

Specific features of the extra strong intermolecular hydrogen bonds in crystals: Insights from the theoretical charge density analysis

Characterizing the multiple non-covalent interactions in N, S-heterocycles–diiodine complexes with focus on halogen bonding

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