Search Results - "Vilkov, Lev V"

Conformational Properties of 2-Fluoroanisole in the Gas Phase by Novikov, Vladimir P, Vilkov, Lev V, Oberhammer, Heinz

“…Molecular structure and conformational properties of 2-fluoroanisole have been studied by gas electron diffraction and quantum chemical methods (HF/6-31G*,…”
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Molecular Structure of 1,5-Diazabicyclo[3.1.0]hexane as Determined by Gas Electron Diffraction and Quantum-Chemical Calculations by Vishnevskiy, Yuri V, Vogt, Natalja, Vogt, Jürgen, Rykov, Anatolii N, Kuznetsov, Vladimir V, Makhova, Nina N, Vilkov, Lev V

“…The equilibrium molecular structure and conformation of 1,5-diazabicyclo[3.1.0]hexane (DABH) has been studied by the gas-phase electron-diffraction method at…”
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Equilibrium structure and relative stability of glyceraldehyde conformers: Gas-phase electron diffraction (GED) and quantum-chemical studies by Vogt, Natalja, Atavin, Evgenii G., Rykov, Anatolii N., Popov, Evgenii V., Vilkov, Lev V.

“…For the first time, the five dimensional (5-D) analysis of potential energy surface (PES) from quantum-chemical calculations was carried out to predict…”
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Flexibility of the Saturated Five-Membered Ring in 2,5-Pyrrolidinedione (Succinimide): Electron Diffraction and Quantum-Chemical Studies with Use of Vibrational Spectroscopy Data by Vogt, Natalja, Khaikin, Leonid S, Grikina, Olga E, Karasev, Nikolai M, Vogt, Jürgen, Vilkov, Lev V

“…The flexibility of succinimide molecule has been studied for the first time by quantum-chemical (at the MP2 level with up to the 6−311G(3df,2p) basis sets) and…”
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The structure and conformations of piracetam (2-oxo-1-pyrrolidineacetamide): Gas-phase electron diffraction and quantum chemical calculations by Ksenafontov, Denis N., Moiseeva, Natalia F., Khristenko, Lyudmila V., Karasev, Nikolai M., Shishkov, Igor F., Vilkov, Lev V.

“…The geometric structure of piracetam was studied by quantum chemical calculations (DFT and ab initio), gas electron diffraction (GED), and FTIR spectroscopy…”
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Molecular structure of 1,3-dimethoxybenzene as studied by gas-phase electron diffraction and quantum chemical calculations by Dorofeeva, Olga V., Shishkov, Igor F., Rykov, Anatoliy N., Vilkov, Lev V., Oberhammer, Heinz

“…The molecular structure and conformational properties of 1,3-dimethoxybenzene (1,3-DMB) have been studied by gas-phase electron diffraction (GED) and quantum…”
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Molecular Structure, Conformation, and Potential to Internal Rotation of 2,6- and 3,5-Difluoronitrobenzene Studied by Gas-Phase Electron Diffraction and Quantum Chemical Calculations by Dorofeeva, Olga V, Ferenets, Anna V, Karasev, Nikolai M, Vilkov, Lev V, Oberhammer, Heinz

“…3,5-Difluoronitrobenzene (3,5-DFNB) and 2,6-difluoronitrobenzene (2,6-DFNB) have been studied by gas-phase electron diffraction (GED), MP2 ab initio, and by…”
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An alternative gas-phase electron diffraction and quantum chemical study of nitroethane by Shishkov, Igor F., Sipachev, Victor A., Dem’yanov, Piotr I., Dorofeeva, Olga V., Vogt, Natalja, Vishnevskiy, Yuriy V., Vilkov, Lev V.

“…The results of alternative gas-phase electron diffraction (GED) study of nitroethane are compared with those reported in the previous study by Tarasov et al…”
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Molecular Structure and Conformational Composition of 1,3-Dihydroxyacetone Studied by Combined Analysis of Gas-Phase Electron Diffraction Data, Rotational Constants, and Results of Theoretical Calculations.  Ideal Gas Thermodynamic Properties of 1,3-Dihydroxyacetone by Dorofeeva, Olga V, Vogt, Natalja, Vogt, Jürgen, Popik, Mikhail V, Rykov, Anatolii N, Vilkov, Lev V

“…The molecular structure of 1,3-dihydroxyacetone (DHA) has been studied by gas-phase electron diffraction (GED), combined analysis of GED and microwave (MW)…”
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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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Molecular Structure and Conformational Composition of 1-[(Methylthio)methyl]-2-nitrobenzene (MTMNB): A Theoretical and Experimental Study by Dorofeeva, Olga V., Shishkov, Igor F., Vilkov, Lev V., Hargittai, István

“…The conformational composition of gaseous MTMNB and the molecular structures of the rotational forms have been studied by electron diffraction at 130∘C aided…”
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One-step synthesis and structure of a tricyclic trislactone with C3 symmetry by Kostyanovsky, Remir G, Krutius, Oleg N, Stankevich, Andrey A, Vilkov, Lev V, Atavin, Evgenii G, Vishnevsky, Yuriy V, Ivanov, Arkadii A

“…The reaction of piruvic acid with PH 3 in the presence of HCl leads to the self-assembly of chiral tricyclic trislactone 1 , the structure of which is proved…”
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Molecular structures of 2-methoxyphenol and 1,2-dimethoxybenzene as studied by gas-phase electron diffraction and quantum chemical calculations by Dorofeeva, Olga V., Shishkov, Igor F., Karasev, Nikolai M., Vilkov, Lev V., Oberhammer, Heinz

“…The molecular structure and conformational properties of 2-methoxyphenol (2-MP) and 1,2-dimethoxybenzene (1,2-DMB) have been studied by gas-phase electron…”
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Structure and conformation of thioanisole: Gas electron diffraction and contradicting quantum chemical calculations by Shishkov, Igor F., Khristenko, Lyudmila V., Karasev, Nikolai M., Vilkov, Lev V., Oberhammer, Heinz

“…The geometric structure and conformational properties of thioanisole, C 6H 5SCH 3, have been studied by gas-phase electron diffraction (GED) and quantum…”
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The molecular structure and the puckering potential function of silacyclobutane as determined by gas electron diffraction and relaxation constraints from ab initio calculations by Novikov, Vladimir P., Dakkouri, Marwan, Vilkov, Lev V.

“…Gas electron diffraction is applied to determine the geometric parameters of the silacyclobutane molecule using a dynamic model where the ring puckering was…”
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Molecular structure of tris(cyclopropylsilyl)amine as determined by gas electron diffraction and quantum-chemical calculations by Vishnevskiy, Yuri V., Abaev, Maxim A., Ivanov, Arkadii A., Vilkov, Lev V., Dakkouri, Marwan

“…The molecular structure and conformation of tris(cyclopropylsilyl)amine (TCPSA) has been studied by means of gas-phase electron diffraction at 338 K and…”
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Introduction by Vilkov, Lev V.

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Molecular structure and conformation of nitrobenzene reinvestigated by combined analysis of gas-phase electron diffraction, rotational constants, and theoretical calculations by Dorofeeva, Olga V., Vishnevskiy, Yuriy V., Vogt, Natalja, Vogt, Jürgen, Khristenko, Lyudmila V., Krasnoshchekov, Sergey V., Shishkov, Igor F., Hargittai, István, Vilkov, Lev V.

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Molecular structure, conformation, potential to internal rotation, and ideal gas thermodynamic properties of 3-fluoroanisole and 3,5-difluoroanisole as studied by gas-phase electron diffraction and quantum chemical calculations by Dorofeeva, Olga V., Vishnevskiy, Yuriy V., Rykov, Anatolii N., Karasev, Nikolai M., Moiseeva, Natalia F., Vilkov, Lev V., Oberhammer, Heinz

“…3-Fluoroanisole (3-FA) and 3,5-difluoroanisole (3,5-DFA) have been studied by gas-phase electron diffraction, ab initio (HF and MP2), and density functional…”
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Structure and conformation of (trifluoromethyl)thiobenzene, C6H5SCF3: Gas electron diffraction and quantum chemical calculations by Shishkov, Igor F., Khristenko, Lyudmila V., Rykov, Anatolii N., Vilkov, Lev V., Giricheva, Nina I., Shlykov, Sergey A., Girichev, Georgiy V., Oberhammer, Heinz

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