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Adam I. Stash
Researcher at A. N. Nesmeyanov Institute of Organoelement Compounds
Publications - 189
Citations - 2713
Adam I. Stash is an academic researcher from A. N. Nesmeyanov Institute of Organoelement Compounds. The author has contributed to research in topics: Electron density & Crystal structure. The author has an hindex of 26, co-authored 176 publications receiving 2312 citations. Previous affiliations of Adam I. Stash include Indian Institute of Science Education and Research, Bhopal & Moscow State University.
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WinXPRO: a program for calculating crystal and molecular properties using multipole parameters of the electron density
TL;DR: The computer program WinXPRO as discussed by the authors enables the calculation of crystal and molecular properties using the multipole parameters of the electron density and its topological and electric field characteristics, the local kinetic and potential energies, the electron localization function, and the effective crystal potential.
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Determination of the electron localization function from electron density
TL;DR: In this paper, an approximate determination of electron localization function (ELF) from electron density and its first and second derivatives is described, based on the accurate electron densities derived from X-ray diffraction data carried out for crystalline magnesium oxide, chlorine and urea.
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Atoms-in-molecules study of intra- and intermolecular bonding in the pentaerythritol tetranitrate crystal.
Elizabeth A. Zhurova,Adam I. Stash,Vladimir G. Tsirelson,Vladimir V. Zhurov,Ekaterina V. Bartashevich,Vladimir Potemkin,A. Alan Pinkerton +6 more
TL;DR: Chemical bonding in the pentaerythritol tetranitrate crystal based on the experimental electron density obtained from X-ray diffraction data at 100 K and theoretical calculations at the experimental molecular geometry have been analyzed in terms of the Quantum Theory of Atoms in Molecules.
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Noncovalent Interactions in Crystalline Picolinic Acid N-Oxide: Insights from Experimental and Theoretical Charge Density Analysis
Anastasia V. Shishkina,Vladimir V. Zhurov,Adam I. Stash,Mikhail V. Vener,A. Alan Pinkerton,Vladimir G. Tsirelson +5 more
TL;DR: In this article, a detailed description of noncovalent interactions of different types and strengths in the title crystal using a combined experimental and theoretical study of the charge density distribution is provided.
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Developing WinXPRO: a software for determination of the multipole‐model‐based properties of crystals
TL;DR: The new release of the computer program package WinXPRO v.3x for determination of the crystal properties from parameters of the multipole-modeled experimental electron density and anharmonic atomic displacement coefficients is described, significantly extended by using the density functional and information theories.