Zobrazeno 1 - 10
of 74
pro vyhledávání: '"Tamara N. Aksamentova"'
Autor:
Mikhail G. Voronkov, Ekaterina A. Grebneva, Aleksandr I. Albanov, Olga M. Trofimova, Tamara N. Aksamentova, Nina N. Chipanina, Anastasiya S. Soldatenko, Nikolay F. Chernov
Publikováno v:
ARKIVOC, Vol 2011, Iss 8, Pp 163-171 (2011)
Externí odkaz:
https://doaj.org/article/3b5d34f0c3054c0e80d085669ca3b25e
Autor:
Nina N. Chipanina, Vladimir I. Smirnov, Larisa P. Oznobikhina, S. N. Adamovich, Tamara N. Aksamentova
Publikováno v:
Journal of Molecular Structure. 1151:142-151
Tris- 1, bis- 2, and mono- 3 (2-hydroxyethyl)amine-N-oxides isomers, their protonated forms, and H-complexes with acids have been studied in gas phase and DMSO solution by the quantum chemical calculations using DFT and MP2 methods. It is found that
Autor:
Elena N. Timofeeva, Tamara N. Aksamentova, Yuliya I. Bolgova, E. A. Grebneva, Nina N. Chipanina, Olga M. Trofimova
Publikováno v:
Computational and Theoretical Chemistry. 1091:78-84
DFT quantum chemical calculations were carried out for conformational isomers of 1-aryl-1-fluoro-5-methylquasisilatranes Ar(F)Si(OCH2CH2)2NMe (Ar = Ph (1), 4-MeC6H4 (2), 4-MeOC6H4 (3), 4-ClC6H4 (4), 3-BrC6H4 (5), 3-NO2C6H4 (6)) with a fluorine atom i
Autor:
Irina V. Sterkhova, Mikhail V. Andreev, Nina N. Chipanina, Dmitry V. Pavlov, Alevtina S. Medvedeva, Tamara N. Aksamentova
Publikováno v:
Journal of Molecular Structure. 1202:127298
Conformational isomers of β-oxy-bis-acrylamides O(CH=CHCONR1R2)2 and their dimers were calculated with DFT methods using NBO and QTAIM analysis. The low rotational barriers about the =С–С= and =C–O– bonds in monomers provide ease of their tr
Autor:
Bagrat A. Shainyan, Tamara N. Aksamentova, Evgeniya P. Doronina, Nina N. Chipanina, Nataliya F. Lazareva
Publikováno v:
Journal of Physical Organic Chemistry. 27:892-901
The intramolecular С=OSi coordination in H-complexes of (acetoxymethyl)trifluorosilane and (benzoyloxymethyl)trifluorosilane with proton donors HCl, PhOH, MeOH, and CHCl3 was investigated by density functional theory and second-order Moller-Plesset
Autor:
Bagrat A. Shainyan, Nataliya F. Lazareva, Alexey Nikonov, Nina N. Chipanina, Tamara N. Aksamentova
Publikováno v:
Organometallics. 33:2641-2652
Conformers of N-[(hydroxydimethylsilyl)methyl]-N,N′-propyleneurea (1) and their hydrochlorides (2) with HCl coordinated to different basic sites have been studied experimentally by FT-IR and theoretically using the density functional theory (DFT) m
Autor:
A. Yu. Rulev, Tamara N. Aksamentova, Alexey R. Romanov, Nina N. Chipanina, Larisa P. Oznobikhina
Publikováno v:
Tetrahedron. 70:1207-1213
Postulated conformers of trifluoromethylated β-aminoenones stabilized by intramolecular NH⋯O and N⋯HO bonds were studied by IR and NMR spectroscopy and evaluated with quantum chemical calculations (B3LYP/6-311+G(d,p), MP2/6-311+G(d,p)//B3LYP/6-3
Autor:
Natalia A. Keiko, Nadezhda V. Vchislo, Ekaterina A. Verochkina, Nina N. Chipanina, Tamara N. Aksamentova
Publikováno v:
Tetrahedron. 69:2022-2032
A DFT approach at B3LYP/6-311+G∗∗ and M06/6-311+G∗∗ levels of theory, and natural bond orbital (NBO) analysis were used to investigate the electron distribution in 3-aryl(hetaryl)substituted 2-methoxy- and 2-methylthiopropenals to predict the
Autor:
Sergey N. Adamovich, Nina N. Chipanina, Mirskova Anna N, A. I. Albanov, Mirskov Rudolf G, Tamara N. Aksamentova, M. G. Voronkov
Publikováno v:
Computational and Theoretical Chemistry. 985:36-45
The interaction of ethanolamines Me 3− n N(CH 2 CH 2 OH) n ( n = 1–3) with arylheteroacetic acids Ar Y CH 2 COOH (Ar = 2-CH 3 C 6 H 4 , 4-ClC 6 H 4 ; Y = O, S, SO 2 ) as well as acetic acid itself has been studied. For isolated state, the geometr
Autor:
Nina N. Chipanina, Larisa P. Oznobikhina, Nataliya F. Lazareva, G. A. Gavrilova, Tamara N. Aksamentova
Publikováno v:
Russian Journal of General Chemistry. 81:2440-2449
According to the IR spectroscopy data, the molecules of (O→Si)-(acetoxymethyl)trifluorosilane having in the liquid state and in polar media the intramolecular bond C=O→Si, exist in the gas phase in the temperature range 438–538 K in the equilib