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Noncovalent Interactions in Crystalline Picolinic Acid N‑Oxide: Insights from Experimental and Theoretical Charge Density Analysis

Crystal growth & design, 2013-02, Vol.13 (2), p.816-828

2013

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Energetic [1,2,5]oxadiazolo [2,3- a ]pyrimidin-8-ium Perchlorates: Synthesis and Characterization

Molecules (Basel, Switzerland), 2022-12, Vol.27 (23), p.8443

2022

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Ligand-Receptor Interactions of Lamivudine : A View from Charge Density Study and QM/MM Calculations

Biomedicines, 2023-03, Vol.11 (3), p.743

2023

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Characterization of Bonding in Cesium Uranyl Chloride: Topological Analysis of the Experimental Charge Density

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2011-11, Vol.115 (45), p.13016-13023

2011

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Bonding in molecular crystals from the local electronic pressure viewpoint

Molecular physics, 2016-04, Vol.114 (7-8), p.1260-1269

2016

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WinXPRO, 3DPlot and TrajPlot computer software: new options for orbital‐free quantum crystallography studies

Journal of applied crystallography, 2022-04, Vol.55 (2), p.420-424

2022

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Importance of the consideration of anharmonic motion in charge-density studies: a comparison of variable-temperature studies on two explosives, RDX and HMX

Acta crystallographica. Section A, Foundations of crystallography, 2011-03, Vol.67 (2), p.160-173

2011

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Real‐Space Interpretation of Interatomic Charge Transfer and Electron Exchange Effects by Combining Static and Kinetic Potentials and Associated Vector Fields

Chemistry : a European journal, 2022-08, Vol.28 (48), p.e202200985-n/a

2022

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Developing WinXPRO: a software for determination of the multipole-model-based properties of crystals

Journal of applied crystallography, 2014-12, Vol.47 (6), p.2086-2089

2014

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Orbital‐Free Quantum Crystallographic View on Noncovalent Bonding: Insights into Hydrogen Bonds, π⋅⋅⋅π and Reverse Electron Lone Pair⋅⋅⋅π Interactions

Chemistry : a European journal, 2021-05, Vol.27 (28), p.7789-7809

2021

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Relaxor-like Behavior and Structure Features of Bi2Ti2O7 Pyrochlore Single Crystals

Crystal growth & design, 2020-02, Vol.20 (2), p.824-831

2020

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

Acta crystallographica. Section B, Structural science, 2007-02, Vol.63 (1), p.142-150

2007

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Intermolecular Bonding Features in Solid Iodine

Crystal growth & design, 2014-07, Vol.14 (7), p.3587-3595

2014

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Quantifying steric effect with experimental electron density

The Journal of chemical physics, 2010-09, Vol.133 (11), p.114110-114110-6

2010

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Solving the enigma of weak fluorine contacts in the solid state: a periodic DFT study of fluorinated organic crystals

RSC advances, 2019-04, Vol.9 (22), p.1252-12537

2019

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Halogen Bonding and Other Iodine Interactions in Crystals of Dihydrothiazolo(oxazino)quinolinium Oligoiodides from the Electron-Density Viewpoint

Crystal growth & design, 2014-11, Vol.14 (11), p.5674-5684

2014

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Octahedra-Tilted Control of Displacement Disorder and Dielectric Relaxation in Mn-Doped SrTiO3 Single Crystals

The journal of physical chemistry letters, 2022-12, Vol.13 (50), p.11720-11728

2022

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Improving approximate determination of the noninteracting electronic kinetic energy density from electron density

International journal of quantum chemistry, 2016-02, Vol.116 (3), p.237-246

2016

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High-Pressure Structural Response of an Insensitive Energetic Crystal: Dihydroxylammonium 5,5′-Bistetrazole-1,1′-diolate (TKX-50)

Journal of physical chemistry. C, 2017-03, Vol.121 (10), p.5761-5767

2017

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High-Pressure Crystal Structures of an Insensitive Energetic Crystal: 1,1-Diamino-2,2-dinitroethene

Journal of physical chemistry. C, 2016-01, Vol.120 (2), p.1218-1224

2016

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X‐ray diffraction study of the atomic interactions, anharmonic displacements and inner‐crystal field in orthorhombic KNbO3

Acta crystallographica Section B, Structural science, crystal engineering and materials, 2021-10, Vol.77 (5), p.728-739

2021

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Octahedra-Tilted Control of Displacement Disorder and Dielectric Relaxation in Mn-Doped SrTiO 3 Single Crystals

The journal of physical chemistry letters, 2022-12, Vol.13 (50), p.11720-11728

2022

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High-Pressure Structural Response of an Insensitive Energetic Crystal: 1,1-Diamino-2,2-dinitroethene (FOX-7)

Journal of physical chemistry. C, 2016-12, Vol.120 (48), p.27600-27607

2016

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Insight into the Electron Density Distribution in an O,N‐Heterocyclic Stannylene by High‐Resolution X‐ray Diffraction Analysis

European journal of inorganic chemistry, 2019-02, Vol.2019 (6), p.875-884

2019

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Chemical bonding and intermolecular interactions in energetic materials: 1,3,4-trinitro-7,8-diazapentalene

Acta crystallographica. Section B, Structural science, 2007-04, Vol.63 (2), p.309-318

2007

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Noncovalent Interactions in Crystalline Picolinic Acid N‑Oxide: Insights from Experimental and Theoretical Charge Density Analysis

Energetic [1,2,5]oxadiazolo [2,3- a ]pyrimidin-8-ium Perchlorates: Synthesis and Characterization

Ligand-Receptor Interactions of Lamivudine : A View from Charge Density Study and QM/MM Calculations

Characterization of Bonding in Cesium Uranyl Chloride: Topological Analysis of the Experimental Charge Density

Bonding in molecular crystals from the local electronic pressure viewpoint

WinXPRO, 3DPlot and TrajPlot computer software: new options for orbital‐free quantum crystallography studies

Importance of the consideration of anharmonic motion in charge-density studies: a comparison of variable-temperature studies on two explosives, RDX and HMX

Real‐Space Interpretation of Interatomic Charge Transfer and Electron Exchange Effects by Combining Static and Kinetic Potentials and Associated Vector Fields

Developing WinXPRO: a software for determination of the multipole-model-based properties of crystals

Orbital‐Free Quantum Crystallographic View on Noncovalent Bonding: Insights into Hydrogen Bonds, π⋅⋅⋅π and Reverse Electron Lone Pair⋅⋅⋅π Interactions

Relaxor-like Behavior and Structure Features of Bi2Ti2O7 Pyrochlore Single Crystals

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

Intermolecular Bonding Features in Solid Iodine

Quantifying steric effect with experimental electron density

Solving the enigma of weak fluorine contacts in the solid state: a periodic DFT study of fluorinated organic crystals

Halogen Bonding and Other Iodine Interactions in Crystals of Dihydrothiazolo(oxazino)quinolinium Oligoiodides from the Electron-Density Viewpoint

Octahedra-Tilted Control of Displacement Disorder and Dielectric Relaxation in Mn-Doped SrTiO3 Single Crystals

Improving approximate determination of the noninteracting electronic kinetic energy density from electron density

High-Pressure Structural Response of an Insensitive Energetic Crystal: Dihydroxylammonium 5,5′-Bistetrazole-1,1′-diolate (TKX-50)

High-Pressure Crystal Structures of an Insensitive Energetic Crystal: 1,1-Diamino-2,2-dinitroethene

X‐ray diffraction study of the atomic interactions, anharmonic displacements and inner‐crystal field in orthorhombic KNbO3

Octahedra-Tilted Control of Displacement Disorder and Dielectric Relaxation in Mn-Doped SrTiO 3 Single Crystals

High-Pressure Structural Response of an Insensitive Energetic Crystal: 1,1-Diamino-2,2-dinitroethene (FOX-7)

Insight into the Electron Density Distribution in an O,N‐Heterocyclic Stannylene by High‐Resolution X‐ray Diffraction Analysis

Chemical bonding and intermolecular interactions in energetic materials: 1,3,4-trinitro-7,8-diazapentalene

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