Search Results - "Stash, Adam"

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.

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.

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.

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.

The influence of chalcogen atom on conformation and phase transition in chalcogenazinoquinolinium monoiodides.

Authors: Yushina, Irina Krylov, Alexander Leonidov, Ivan I. et al.

Source: Acta Crystallographica Section B: Structural Science, Crystal Engineering & Materials. Aug2021, Vol. 77 Issue 4, p526-536. 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 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.

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.

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.

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

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Analysis of the Inner Crystal Chiral Discrimination for the Series of Aryl Glycerol Ethers Based on Changes in the Standard Free Energies of Dissolution and Melting.

Authors: Zakharychev, D. V. Gerasimova, D. P. Fayzullin, R. R.

Source: Journal of Structural Chemistry. Apr2024, Vol. 65 Issue 4, p676-682. 7p.

Weak Interactions and its Topological Characteristics in (R)-3-Quinuclidinol Crystals: a Quantum Crystallography Approach.

Authors: Khainovsky, M. A. Sharaya, S. S. Bogdanov, N. E.

Source: Journal of Structural Chemistry. Apr2025, Vol. 66 Issue 4, p669-677. 9p.

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

Authors: Strizhenko, Kirill V. Smirnova, Anastasia D. Filatov, Sergei A. et al.

Source: Molecules. Dec2022, Vol. 27 Issue 23, p8443. 19p.

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.

Comparison of non-covalent interactions and spectral properties in 1-methyl-3-methylthio-5-phenyl-1,2,4-triazinium mono- and tetraiodide crystals.

Authors: Yushina, Irina D. Rudakov, Boris V. Stash, Adam I. et al.

Source: Structural Chemistry. Oct2019, Vol. 30 Issue 5, p1981-1991. 11p.

Binding mechanism, conformation, and stability of diflunisal and mycophenolic acid with p300 HAT enzyme using molecular dynamics simulation and binding free energy analysis.

Authors: Magudeeswaran, Sivanandam Poomani, Kumaradhas

Source: Medicinal Chemistry Research. Mar2020, Vol. 29 Issue 3, p504-518. 15p.

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.

Pressure versus Temperature Effects on Intramolecular Electron Transfer in Mixed-Valence Complexes.

Authors: Scheins, Stephan Overgaard, Jacob Timco, Grigore A. et al.

Source: Chemistry - A European Journal. Jan2013, Vol. 19 Issue 1, p195-205. 11p.

More robust hashing: cuckoo hashing with a stash.

Authors: Kirsch, Adam Mitzenmacher, Michael Wieder, Udi

Source: SIAM Journal on Computing; 2009, Vol. 39 Issue 4, p1543-1561, 19p