Search Results - "Khristenko, L. V."

Molecular Structure of Silatrane Determined by Gas Electron Diffraction and Quantum-Mechanical Calculations by Shishkov, I. F., Khristenko, L. V., Rudakov, F. M., Golubinskii, A. B., Vilkov, L. V., Karlov, S. S., Zaitseva, G. S., Samdal, S.

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The molecular structure of fluoromalononitrile as determined by gas-phase electron diffraction and ab initio calculations by Atavin, E.G., Dakkouri, M., Khristenko, L.V., Vilkov, L.V.

“…The molecular structure of fluoromalononitrile was studied by means of gas-phase electron diffraction and quantum mechanical methods using HF/6-31G(d),…”
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Vibrational spectra and rotational isomerism of bis(N-2-chloroethyl)nitramine by Khristenko, L. V., Ivanova, E. Yu, Pyatakov, N. F., Samdal, S., Shishkov, L. F., Pentin, Yu. A., Vilkov, L. V.

“…The IR and Raman spectra of bis(N-2-chloroethyl)nitramine (BCENA) in the liquid and crystalline states and in CCl4 and CH3CN solutions are studied. The spectra…”
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Trifluoromethoxy benzene in the gas phase studied by electron diffraction and spectroscopy supplemented with ab initio calculations by Shishkov, I.F., Geise, H.J., Van Alsenoy, C., Khristenko, L.V., Vilkov, L.V., Senyavian, V.M., Van der Veken, B., Herrebout, W., Lokshin, B.V., Garkusha, O.G.

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Acetic Anhydride in the Gas Phase, Studied by Electron Diffraction and Infrared Spectroscopy, Supplemented With ab Initio Calculations of Geometries and Force Fields by Wu, Guang, Van Alsenoy, C, Geise, H. J, Sluyts, E, Van der Veken, B. J, Shishkov, I. F, Khristenko

“…Geometry-relaxed ab initio calculations of acetic anhydride at interalia B3LYP/6-31G**, B3LYP/cc-pvtz, and MP2/6-31G** level revealed a mixture of nonplanar…”
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The molecular structure of boratrane determined by gas electron diffraction and quantum mechanical calculations by Shishkov, I.F., Khristenko, L.V., Rudakov, F.M., Vilkov, L.V., Karlov, S.S., Zaitseva, G.S., Samdal, S.

“…The molecular geometry of boratrane has been determined by gas-phase electron diffraction and quantum chemical computations at the Becke3–Lee–Yang–Parr…”
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Gas-phase electron diffraction, vibrational spectroscopy, and quantum chemical studies of the molecular structure of 3,3-dimethyl-3-silathiane by Atavin, E. G., Khristenko, L. V., Lokshin, B. V., Samdal, S., Kirpichenko, S. V., Vilkov, L. V.

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Conformational composition of meta- and ortho-fluoro(trifluoromethoxy)benzene as studied by vibrational spectroscopy by Khristenko, L. V., Senyavin, V. M., Lokshin, B. V., Vilkova, A. L., Shishkov, I. F.

“…The IR spectra of o - and m -F-C 6 H 4 OCF 3 in the gas, liquid, and solid (glass and crystal) phases were analyzed along with the Raman spectra of these…”
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Vibrational spectra and conformations of bis( N -ethyl)nitramine molecule by Khristenko, L.V., Pyatakov, N.F., Van Alsenoy, C., Franckaerts, K., Fishman, A.I., Mironov, S.F., Shishkov, I.F., Vilkov, L.V., Pentin, Yu.A.

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Structure and Conformation of 4-Fluoro(trifluoromethoxy)benzene:  Gas Electron Diffraction and Quantum Chemical Calculations by Shishkov, Igor F, Khristenko, Lyudmila V, Vilkov, Lev V, Oberhammer, Heinz

“…The geometric structure and conformational properties of 4-fluoro(trifluoromethoxy)benzene, 4-F-C6H4OCF3, were investigated independently in two laboratories…”
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Electron diffraction study of meta- and para-fluoronitrobenzene using results from quantum chemical calculations. Trends in the carbon–halogen bond length found in ortho-, meta- and para-halonitrobenzenes (Halo=F, Cl, Br, I) by Shishkov, Igor F., Khristenko, Lyudmila V., Samdal, Svein, Gundersen, Snefrid, Volden, Hans V., Vilkov, Lev V.

“…The molecular geometry of meta- and para-fluoronitrobenzene has been determined by gas electron diffraction and quantum chemical calculations using HF, MP2 and…”
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Vibrational spectra and conformational composition of ethylene glycol dinitrate in solid phases by Beresneva, G. A., Khristenko, L. V., Krasnoshchekov, S. V., Pentin, Yu. A.

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Vibrational spectrum of 1,1-dimethyl-1-sila-3-thiocyclobutane by Khristenko, L. V., Kolobova, O. I., Matveev, V. K., Pentin, Yu. A.

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A reinvestigation of the molecular structure of dimethyl- N -nitramine by gas electron diffraction, ab initio calculations of the molecular geometry and the force field and vibrational spectra by Shishkov, Igor F., Khristenko, Lyudmila V., Sipachev, Victor A., Vilkov, Lev V., Samdal, Svein, Gundersen, Snefrid, Palafox, Mauricio A.

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The molecular structure of methyl(vinyl)- N-nitroamine reinvestigated by gas phase electron diffraction and ab initio MO calculations by Shishkov, Igor F., Vilkov, Lev V., Khristenko, Lyudmila V., Skancke, Per N.

“…The molecular structure of methyl(vinyl)- N-nitroamine has been reinvestigated by gas-phase electron diffraction and ab initio MO calculations. The…”
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Vibrational spectra of rotational isomers of vinyldichlorosilane by Pentin, Y. A., Khristenko, L. V., Il'enko, T. M.

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The molecular structure of 2-chloroacrolein studied by gas electron diffraction, vibrational spectroscopy and ab initio MO calculations by Shishkov, Igor F., Vilkov, Lev V., Khristenko, Lyudmila V., Skancke, Per N.

“…The molecular structure of 2-chloroacrolein was reinvestigated by means of gas-phase electron diffraction, ab initio MO calculations and vibrational analysis…”
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Structure of the 3,3-dimethyl-3-silathietane molecule according to data from gas-phase electron diffraction analysis with consideration of vibrational effects by Mastryukov, V. S., Strelkov, S. A., Golubinskii, A. V., Vilkov, L. V., Khristenko, L. V., Krasnoshchekov, S. V., Pentin, Yu. A., Kirpichenko, S. V., Suslova, E. N., Voronkov, M. G.

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Calculation of the reduced moment of inertia and estimation of the potential function for the hindered internal rotation in various methyl- and chloro-substituted vinylsilanes by Khristenko, L. V., Zenkin, A. A., Pentin, Yu. A., Tyulin, V. I.

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Molecular structure of 1-methoxymethylaziridine and methoxymethyldimethylamine and anomeric effects by Shishkov, Igor F., Khristenko, Lyudmila V., Vilkov, Lev V., Dakkouri, Marwan, Kadorkina, Gulnara K., Dormov, Pavel E., Kostyanovsky, Remir G.

“…For 1-methoxymethylaziridine 1 it is proved experimentally (GED) and theoretically that the equilibrium conformers are stabilized by the anomeric effects n(N)…”
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