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List of works by Vladimir Tsirelson

A comparative view on the potential acting on an electron in a molecule and the electrostatic potential through the typical halogen bonds

scientific article

An anatomy of intramolecular atomic interactions in halogen-substituted trinitromethanes

scientific article published on 01 August 2014

Analyzing experimental electron density with the localized-orbital locator

scientific article published on 24 September 2002

Atomic dipole polarization in charge-transfer complexes with halogen bonding.

scientific article

Atomic interactions in ethylenebis(1-indenyl)zirconium dichloride as derived by experimental electron density analysis.

scientific article published on 19 July 2005

Atoms-in-Molecules Study of Intra- and Intermolecular Bonding in the Pentaerythritol Tetranitrate Crystal

scientific article published on 01 November 2006

Binding Entropy and Its Application to Solids

scientific article published on 01 August 2009

Characterizing the Oxygen−Oxygen Interaction in the Dinitramide Anion

scientific article published on 01 May 2002

Chemical bonding in pentaerythritol at very low temperature or at high pressure: an experimental and theoretical study

scientific article published on 15 May 2006

Cl···Cl Interactions in Molecular Crystals: Insights from the Theoretical Charge Density Analysis

article

Determination of covalent bond orders and atomic valence indices using topological features of the experimental electron density

scientific article published on 15 January 2007

Dynamical properties of enzyme-substrate complexes disclose substrate specificity of the SARS-CoV-2 main protease as characterized by the electron density descriptors

scientific article published on 19 August 2020

Early days of quantum crystallography: A personal account

scientific article published on 9 August 2017

Electron density and atomic displacements in KTaO3

scientific article published on 01 August 2000

Electron density and energy density view on the atomic interactions in SrTiO3

scientific article published on 30 July 2002

Electron density of KNiF3: analysis of the atomic interactions

scientific article published on 01 April 2000

Electron density study of urea using TDS-corrected X-ray diffraction data: quantitative comparison of experimental and theoretical results.

scientific article

Electron-density-based calculations of intermolecular energy: case of urea

scientific article published on 01 September 1999

Electronic criterion for categorizing the chalcogen and halogen bonds: sulfur-iodine interactions in crystals

scientific article published on 13 March 2019

Extracting charge density distributions from diffraction data: a model study on urea

scientific article

Features of the electron density in magnesium diboride: reconstruction from X-ray diffraction data and comparison with TB-LMTO and FPLO calculations ⬇️

scientific article published on September 25, 2003

Hydrogen bonds and O⋯O interactions in proton-ordered ices. DFT computations with periodic boundary conditions

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

scientific article published on 12 July 2012

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

scientific article published on 12 July 2006

Multipole analysis of the electron density and electrostatic potential in germanium by high-resolution electron diffraction

scholarly article by A. Avilov et al published December 2001 in Journal of Physics and Chemistry of Solids

On functions and quantities derived from the experimental electron density

scientific article published on 26 August 2004

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

scientific article

Orbital-free quantum crystallography: view on forces in crystals

scientific article published on 19 August 2020

Proton dynamics in strong (short) intramolecular H-bond. DFT study of the KH maleate crystal.

scientific article published in December 2008

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

scientific article published on 25 January 2007

Quantifying steric effect with experimental electron density

scientific article published on 01 September 2010

Quantum chemical and experimental study of urea

scientific article published on 8 August 1996

Quantum pressure focusing in solids: a reconstruction from experimental electron density

scientific article published on 21 March 2019

Six questions on topology in theoretical chemistry

article published in 2015

Testing the ability of rhodanine and 2, 4-thiazolidinedione to interact with the human pancreatic alpha-amylase: electron-density descriptors complement molecular docking, QM, and QM/MM dynamics calculations.

scientific article published on 5 August 2017

Testing the tools for revealing and characterizing the iodine–iodine halogen bond in crystals

scientific article published on 29 March 2017

The experimental and theoretical QTAIMC study of the atomic and molecular interactions in dinitrogen tetroxide

scientific article published on 28 August 2009

The explicit role of electron exchange in the hydrogen bonded molecular complexes

scientific article published on 06 March 2021

The mapping of electronic energy distributions using experimental electron density

scientific article published on 30 July 2002

Understanding the bifurcated halogen bonding N⋯Hal⋯N in bidentate diazaheterocyclic compounds

scientific article published in February 2015

Variations of quantum electronic pressure under the external compression in crystals with halogen bonds assembled in Cl3-, Br3-, I3-synthons

scientific article published on 01 July 2020

X-ray diffraction by a crystal in a permanent external electric field: electric-field-induced structural response in α-GaPO4

article

X-ray diffraction by a crystal in a permanent external electric field: general considerations

scientific article published on 23 June 2005

X-ray scattering amplitude of an atom in a permanent external electric field

scientific article published on 25 April 2003

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