Search Results - "Stash, Adam"

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

Authors: Shteingolts, Sergey A. Stash, Adam I. Tsirelson, Vladimir G. et al.

Source: Chemistry - A European Journal. Aug2022, Vol. 28 Issue 48, p1-16. 16p.

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

Authors: Stash, Adam I. Terekhova, Ekaterina O. Ivanov, Sergey A. et al.

Source: Acta Crystallographica Section B: Structural Science, Crystal Engineering & Materials. Oct2021, Vol. 77 Issue 5, p728-739. 12p.

Bonding features in Appel's salt from the orbital‐free quantum crystallographic perspective.

Authors: Bartashevich, Ekaterina Stash, Adam Yushina, Irina et al.

Source: Acta Crystallographica Section B: Structural Science, Crystal Engineering & Materials. Aug2021, Vol. 77 Issue 4, p478-487. 10p.

Developing orbital‐free quantum crystallography: the local potentials and associated partial charge densities.

Authors: Tsirelson, Vladimir Stash, Adam

Source: Acta Crystallographica Section B: Structural Science, Crystal Engineering & Materials. Aug2021, Vol. 77 Issue 4, p467-477. 11p.

3R-CuCrO2 delafosite: crystal growth, crystal structure, dielectric and DC conductivity properties.

Authors: Matasov, Anton Bush, Alexander Kozlov, Vladislav et al.

Source: Discover Materials; 11/12/2024, Vol. 4 Issue 1, p1-11, 11p

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

Authors: Shteingolts, Sergey A. Stash, Adam I. Tsirelson, Vladimir G. et al.

Source: Chemistry - A European Journal. 5/17/2021, Vol. 27 Issue 28, p7789-7809. 21p.

Orbital‐free quantum crystallography: view on forces in crystals.

Authors: Tsirelson, Vladimir Stash, Adam

Source: Acta Crystallographica Section B: Structural Science, Crystal Engineering & Materials. Oct2020, Vol. 76 Issue 5, p769-778. 10p.

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

Authors: Tsirelson, Vladimir G. Stash, Adam I. Tokatly, Ilya V.

Source: Acta Crystallographica Section B: Structural Science, Crystal Engineering & Materials. Apr2019, Vol. 75 Issue 2, p201-209. 9p.

Why are reactions of 2‐ and 8‐thioquinoline derivatives with iodine different?

Authors: Rudakov, Boris V. Stash, Adam I. Makarov, Gennady I. et al.

Source: Acta Crystallographica Section C: Structural Chemistry. Aug2018, Vol. 74 Issue 8, p974-980. 6p.

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

Authors: Stash, Adam I. Tsirelson, Vladimir G.

Source: Journal of Applied Crystallography. Apr2022, Vol. 55 Issue 2, p420-424. 5p.

Subjects: Computer software, Crystallography, Integrated software, X-ray diffraction, Electron density, Quantum computers

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

Authors: Astakhov, Andrey A. Stash, Adam I. Tsirelson, Vladimir G.

Source: International Journal of Quantum Chemistry. Feb2016, Vol. 116 Issue 3, p237-246. 10p.

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

Authors: Chen, Yu-Sheng Stash, Adam I. Pinkerton, A. Alan

Source: Acta Crystallographica: Section B (Wiley-Blackwell). Apr2007, Vol. 63 Issue 2, p309-318. 10p. 7 Diagrams, 4 Charts.

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

Authors: Stash, Adam I. Tanaka, Kiyoaki Shiozawa, Kazunari et al.

Source: Acta Crystallographica: Section B (Wiley-Blackwell). Aug2005, Vol. 61 Issue 4, p418-428. 11p.

On functions and quantities derived from the experimental electron density.

Authors: Tsirelson, Vladimir Stash, Adam

Source: Acta Crystallographica: Section A (Wiley-Blackwell). Sep2004, Vol. 60 Issue 5, p418-426. 9p. 4 Diagrams, 2 Charts, 3 Graphs.

1-[4,5-Bis(hydroxy­meth­yl)-1,2,3-triazol-1-ylmeth­yl]thymine.

Authors: Stash, Adam I. Zavodnik, Valery E. Zavgorodny, Sergei G. et al.

Source: Acta Crystallographica: Section E. Jun2005, Vol. 61 Issue 6, po1721-o1723. 3p. 2 Diagrams, 1 Chart.

WinXPRO: a program for calculating crystal and molecular properties using multipole parameters of the electron density.

Authors: Stash, Adam Tsirelson, Vladimir

Source: Journal of Applied Crystallography. Jun2002, Vol. 35 Issue 3, p371. 3p.

Subjects: Crystallography, Computer software

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

Authors: Chegerev, Maxim G. Piskunov, Alexandr V. Tsys, Kseniya V. et al.

Source: European Journal of Inorganic Chemistry; Feb2019, Vol. 2019 Issue 6, p875-884, 10p

Crystal Chemistry, Optical Spectroscopy and Crystal Field Calculations of Co3TeO6 and Solid Solutions Co3–xZnxTeO6.

Authors: Reichartzeder, Dominik Wildner, Manfred Weil, Matthias et al.

Source: European Journal of Inorganic Chemistry; 10/17/2018, Vol. 2018 Issue 38, p4221-4233, 13p