Výsledky vyhledávání - "Yury I. Tarasov"

Application of statistical criteria in the presence of systematic errors in GED

Autor: Igor V. Kochikov, Yury I. Tarasov

Publikováno v: Chemical Physics Letters. 806:140013

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::ea9f9fa35389228ba0f50f9ec0c9f451
https://doi.org/10.1016/j.cplett.2022.140013

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Pseudo-conformer models for linear molecules: Joint treatment of spectroscopic, electron diffraction and ab initio data for the C 3 O 2 molecule

Autor: Yury I. Tarasov, Igor V. Kochikov

Publikováno v: Journal of Molecular Structure. 1162:117-124

Dynamic analysis of the molecules with large-amplitude motions (LAM) based on the pseudo-conformer approach has been successfully applied to various molecules. Floppy linear molecules present a special class of molecular structures that possess a pai

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::183eb84409cb58ef76bd5634b6b116ad
https://doi.org/10.1016/j.molstruc.2018.02.095

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Electron diffraction analysis for the molecules with degenerate large amplitude motions: Intramolecular dynamics in arsenic pentafluoride

Autor: Igor V. Kochikov, Yury I. Tarasov, D. M. Kovtun

Publikováno v: Journal of Molecular Structure. 1132:139-148

There exists a noticeable disagreement in the difference of axial and equatorial bond lengths in D 3h symmetry arsenic and phosphorus pentafluorides between the GED data and high level quantum chemical results. In order to resolve this disagreement,

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::c3799d4f06a4aa1860c16afc4212d1ff
https://doi.org/10.1016/j.molstruc.2016.09.064

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Internal rotation and equilibrium structure of 2-chloro-3-nitrothiophene from gas electron diffraction and quantum chemistry

Autor: D. M. Kovtun, Igor V. Kochikov, Yury I. Tarasov

Publikováno v: Journal of Molecular Structure. 1100:311-317

The equilibrium structure of the 2-chloro-3-nitrothiophene molecule and the internal rotation of the nitro group have been studied in gas phase using electron diffraction data and quantum chemical calculations in the framework of the large-amplitude

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::7a635026671153b44202b0b2590624f2
https://doi.org/10.1016/j.molstruc.2015.07.016

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Electron Diffraction Analysis for the Molecules with Multiple Large-Amplitude Motions. 3-Nitrostyrene—A Molecule with Two Internal Rotors

Autor: Yury I. Tarasov, Igor V. Kochikov, D. M. Kovtun

Publikováno v: The Journal of Physical Chemistry A. 119:1657-1665

Dynamic structural analysis of the molecules possessing large-amplitude degrees of freedom has been attempted by many researchers; however, so far, electron diffraction investigations involved only one large-amplitude coordinate (internal rotation or

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::2bed389d1f4531ad8a776eb9e9df1ca1
https://doi.org/10.1021/jp5082774

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