| Предварительный просмотр | Дата выпуска | Заглавие | Автор(ы) |
| 18-мая-2018 | 3D PES Assosiated with Donor Hydroxyl Group Motions in Acetilacetone Molecule. Stretching and Bending OH Vibrations Studied at B3LYP/cc-pVTZ Level of Theory | Козловская, Екатерина Николаевна; Пицевич, Георгий Александрович; Дорожкин, Николай; Перетолчина, Ульяна; Дорошенко, Ирина Юрьевна; Погорелов, Валерий Евгеньевич |
| 2023 | A 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 H3O | Pitsevich, George A.; Malevich, Alex E.; Kamnev, Alexander A. |
| 2012 | A DFT modeling of the uranium trioxide vibration spectra characteristics | Shundalau, M.B.; Zajogin, A.P.; Komiak, A.I.; Sokolsky, A.A.; Umreiko, D.S. |
| 2013 | A DFT study of the structure and vibrational IR spectra of the UO2Cl2•2HMPA and UCl4•2HMPA complexes | Shundalau, M.B.; Komiak, A.I.; Zajogin, A.P.; Umreiko, D.S. |
| 2019 | A proposal for the structure of high- and low-density fluctuations in liquid water | Camisasca, Gaia; Schlesinger, Daniel; Zhovtobriukh, Iurii; Pitsevich, George; Pettersson, Lars G. M. |
| 2021 | Ab initio calculation of the ground and first excited states of the lithium dimer | Qi, JianJun; Bai, YuYao; Guo, QianQian; Han, Yong-Chang; Shundalau, Maksim |
| 2016 | Ab initio multi-reference perturbation theory calculations of the ground and low-lying electronic states of the KRb molecule | Shundalau, M. B.; Pitsevich, G. A.; Malevich, A. E.; Hlinisty, A. V.; Minko, A. A.; Ferber, R.; Tamanis, M. |
| 2017 | Ab initio multi-reference perturbation theory calculations of the ground and some excited electronic states of the RbYb molecule | Shundalau, M. B.; Minko, A. A. |
| 2024 | Ab initio potential energy surfaces and spectroscopic and radiative properties of the low-lying states of the radium monohydroxide RaOH radical | Osika, Yuliya; Sharashkin, Sergey; Pitsevich, George; Shundalau, Maksim |
| 2022 | Ab initio study on the spectroscopic and radiative properties of the low-lying states of the radium monoiodide RaI molecule | Osika, Yuliya; Shundalau, Maksim; Han, Yong-Chang |
| 7-июл-2019 | Accounting of the Dispersion Interaction in Calculations of Multidimensional Potential Energy Surface for Hydrogen-Bonded Complexes | Пицевич, Георгий Александрович; Шаламберидзе, Елена Зурабовна; Козловская, Екатерина Николаевна; Урбан, Александр |
| 2014 | Anharmonic calculations and 3D PES study of the O-H group vibrations in the methanol dimer | Pitsevich, G. A.; Malevich, A. E.; Kozlovskaya, E. N.; Sapeshko, U. U. |
| 2023 | Anisotropy-enhanced second-harmonic generation from graphene-wrapped nanoparticles | Chenglin Wang; Novitsky, Andrey; Wenxuan Ge; Dongliang Gao; Lei Gao |
| 2022 | Bound States in the Continuum versus Fano Resonances: Topological Argument | Novitsky, Denis V.; Novitsky, Andrey V. |
| 2008 | Calculation of Intensities of Torsional-Rotational Bands in the Ir Absorption Spectrum of Hydrogen Peroxide | Shashok, A. V.; Shundalau, M. B.; Pitsevich, G. A. |
| 2010 | Calculation of Torsional and Rotational Raman Spectra of Hydrogen Peroxide | Pitsevich, G. A.; Shundalau, M. B.; Umreiko, D. S. |
| 2010 | Calculation of Vibrational Spectra for Dioxouranium Monochloride Monomer and Dimers | Umreiko, D. S.; Shundalau, M. B.; Zazhogin, A. P.; Komyak, A. I. |
| 2011 | Coherent tunneling in periodic symmetric multiple well potentials | Shundalau, M. B.; Romanov, O. G. |
| 2016 | Combinatorial Broadening Mechanism of O–H Stretching Bands in H-Bonded Molecular Clusters | Pitsevich, G. A.; Doroshenko, I. Yu.; Pogorelov, V. E.; Pettersson, L. G. M.; Sablinskas, V.; Sapeshko, V. V.; Balevicius, V. |
| 2012 | Computer simulation of the effect exerted by argon matrix on the internal rotation barriers and torsional states of methanol molecule | Pitsevich, G. А.; Shundalau, Maksim |
