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Showing results 1 to 10 of 104
PreviewIssue DateTitleAuthor(s)
18-May-20183D PES Assosiated with Donor Hydroxyl Group Motions in Acetilacetone Molecule. Stretching and Bending OH Vibrations Studied at B3LYP/cc-pVTZ Level of TheoryКозловская, Екатерина Николаевна; Пицевич, Георгий Александрович; Дорожкин, Николай; Перетолчина, Ульяна; Дорошенко, Ирина Юрьевна; Погорелов, Валерий Евгеньевич
2023A convenient set of vibrational coordinates for 2D calculation of the tunneling splittings of the ground state and some excited vibrational states for the inversion motion in H3O+ , H3O- , and H3OPitsevich, George A.; Malevich, Alex E.; Kamnev, Alexander A.
2019A proposal for the structure of high- and low-density fluctuations in liquid waterCamisasca, Gaia; Schlesinger, Daniel; Zhovtobriukh, Iurii; Pitsevich, George; Pettersson, Lars G. M.
2021Ab initio calculation of the ground and first excited states of the lithium dimerQi, JianJun; Bai, YuYao; Guo, QianQian; Han, Yong-Chang; Shundalau, Maksim
2016Ab initio multi-reference perturbation theory calculations of the ground and low-lying electronic states of the KRb moleculeShundalau, M. B.; Pitsevich, G. A.; Malevich, A. E.; Hlinisty, A. V.; Minko, A. A.; Ferber, R.; Tamanis, M.
2017Ab initio multi-reference perturbation theory calculations of the ground and some excited electronic states of the RbYb moleculeShundalau, M. B.; Minko, A. A.
2024Ab initio potential energy surfaces and spectroscopic and radiative properties of the low-lying states of the radium monohydroxide RaOH radicalOsika, Yuliya; Sharashkin, Sergey; Pitsevich, George; Shundalau, Maksim
2022Ab initio study on the spectroscopic and radiative properties of the low-lying states of the radium monoiodide RaI moleculeOsika, Yuliya; Shundalau, Maksim; Han, Yong-Chang
7-Jul-2019Accounting of the Dispersion Interaction in Calculations of Multidimensional Potential Energy Surface for Hydrogen-Bonded ComplexesПицевич, Георгий Александрович; Шаламберидзе, Елена Зурабовна; Козловская, Екатерина Николаевна; Урбан, Александр
2014Anharmonic calculations and 3D PES study of the O-H group vibrations in the methanol dimerPitsevich, G. A.; Malevich, A. E.; Kozlovskaya, E. N.; Sapeshko, U. U.