Предварительный просмотр	Дата выпуска	Заглавие	Автор(ы)
	2016	Raman, infrared and DFT studies of N' -(adamantan-2-ylidene) benzohydrazide, a potential antibacterial agent	Shundalau, Maksim B.; Al-Abdullah, Ebtehal S.; Shabunya-Klyachkovskaya, Elena V.; Hlinisty, Anton V.; Al-Deeb, Omar A.; El-Emam, Ali A.; Gaponenko, Sergey V.
	2017	Quantum chemical simulation of the interaction of functional groups in polyurethanes with 3d-metal ions during their extraction from aqueous solutions	Ksenofontov, M. A.; Bobkova, E. Yu.; Shundalau, M. B.; Ostrovskaya, L. E.; Vasil′eva, V. S.
	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
	2021	Fock-space relativistic coupled cluster study on the RaF molecule promising for the laser cooling	Osika, Yuliya; Shundalau, Maksim
	2021	Fock-space relativistic coupled cluster study on the spectroscopic properties of the low-lying states of the radium monobromide RaBr molecule	Osika, Yuliya; Shundalau, Maksim
	2020	Multi-reference perturbation theory study on the RaCl molecule promising for the laser cooling	Osika, Yuliya; Shundalau, Maksim
	2019	Structural, Vibrational and UV/Vis Studies of Adamantane-Containing Triazole Thiones by Spectral, DFT and Multi-reference ab initio Methods	Shundalau, Maksim; Mindarava, Yuliya L.; Matsukovich, Anna S.; Gaponenko, Sergey V.; El-Emam, Ali A.; Alkahtani, Hamad N.
	1985	Molecular Structure of 4,4'-Dimethoxydibenzoyl Peroxide	Kosnikov, A. Yu.; Antonovskii, V. L.; Lindeman, S. V.; Struchkov, Yu. T.; Zyat'kov, I. P.; Pitsevich, G. A.; Gogolinskii, V. I.
	2013	Structure and vibrational spectra of gauche- and trans-conformers of ethanol: Nonempirical anharmonic calculations and FTIR spectra in argon matrices	Pitsevich, G. A.; Doroshenko, I. Yu.; Pogorelov, V. Ye.; Sablinskas, V.; Balevicius, V.
	2014	FTIR/PCA study of propanol in argon matrix: the initial stage of clustering and conformational transitions	Doroshenko, Iryna; Balevicius, Vytautas; Pitsevich, George; Aidas, Kestutis; Sablinskas, Valdas; Pogorelov, Valeriy
	2012	Спектрально-структурные характеристики наноразмерных кластеров трет-бутилового спирта в аргоновой матрице	Дорошенко, И. Ю.; Пицевич, Г. А.; Погорелов, В. Е.
	2010	Calculation of Vibrational Spectra for Dioxouranium Monochloride Monomer and Dimers	Umreiko, D. S.; Shundalau, M. B.; Zazhogin, A. P.; Komyak, A. I.
	2013	Influence of Fluorination on UV Spectra of Polyurethane Structural Fragments	Ksenofontov, M. A.; Ponarjadov, V. V.; Umreiko, D. S.; Shundalau, M. B.; Bobkova, E. J.
	2012	Quantum Chemical Modeling of UV Spectra of Polyurethane Structural Fragments	Ksenofontov, M. A.; Umreiko, D. S.; Shundalau, M. B.
	2010	Modeling the Structure and Vibrational Spectra for Oxouranium Dichloride Monomer and Dimer	Umreiko, D. S.; Shundalau, M. B.; Trubina, O. V.
	2013	Modeling Ir Spectra of Uranium Monoxide Clusters	Shundalau, M. B.; Umreiko, D. S.; Zazhogin, A. P.; Komyak, A. I.
	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.
	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.
	2012	Transformation of ab initio force fields on going to a set of redundant vibrational coordinates in tetrahedral molecular fragments	Pitsevich, G. A.
	2013	Vibrational analysis of hydroxyl group in the pyridine n-oxide/trichloroacetic acid complex using the anharmanic approximation and computations of 1D and 2D potential surfaces	Pitsevich, G. A.; Sablinskas, V.; Malevich, A. E.; Doroshenko, I. U.; Pogorelov, V. E.; Balevicius, V.