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Issue Date	Title	Author(s)
18-May-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-Jul-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. A.; Shundalau, M. B.

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