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dc.contributor.authorPitsevich, G.A.-
dc.contributor.authorMalevich, A.E.-
dc.contributor.authorSapeshka, U.U.-
dc.date.accessioned2024-12-13T14:30:50Z-
dc.date.available2024-12-13T14:30:50Z-
dc.date.issued2024-
dc.identifier.citationJournal of Molecular Spectroscopy.2024; 399: 111860ru
dc.identifier.urihttps://elib.bsu.by/handle/123456789/323090-
dc.description.abstractFourier analysis of the kinetic and potential interactions of non-coaxial internal tops in the molecules C6H4(OH)2, HO(CH2)OH, HOOOH, HOSOH, HSSSH, and HSOSH was carried out. It was found that for the all six molecules, in which both tops are characterized by a period 2 π, the harmonics with a period of π are dominate, with its contribution to the Fourier representation of potential surfaces increasing in the sequence mentioned above. Contributions of internal tops interactions to the kinetic and potential energies were determined for analyzed molecules. The influence of potential and kinetic interactions of internal tops on 1) the features of tunneling splitting of the ground and excited torsional states of molecules, 2) the landscape of 2D potential energy surfaces, 3) frequencies of fundamental torsional vibrations of hydroxyl and thiol groups, 4) the ratio of trans - and cis - conformer energies is also analyzed.ru
dc.description.sponsorshipThis research was supported by the Belarusian State Program for Scientific Research 2021-2025 “GPNI Convergence – 25” (11.11.3).ru
dc.language.isoenru
dc.publisherAcademic Press Inc.ru
dc.rightsinfo:eu-repo/semantics/openAccessru
dc.subjectЭБ БГУ::ЕСТЕСТВЕННЫЕ И ТОЧНЫЕ НАУКИ::Физикаru
dc.titlePotential and kinetic interaction of two internal tops in molecules belonging to C2v(M) molecular symmetry groupru
dc.typearticleru
dc.rights.licenseCC BY 4.0ru
dc.identifier.DOI10.1016/j.jms.2023.111860-
dc.identifier.scopus85182201319-
Располагается в коллекциях:Кафедра физической оптики и прикладной информатики (статьи)

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