Search Results - "Moiseeva, Natalia F."

Computational Study of the Thermochemistry of Organophosphorus(III) Compounds by Dorofeeva, Olga V, Moiseeva, Natalia F

“…The enthalpies of formation of organophosphorus(III) compounds have been calculated at the G3X, G3X(MP2), and B3LYP/6-311+G(3df,2p)//B3LYP/6-31G(d,p) levels of…”
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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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Thermodynamic Properties of Polychlorinated Biphenyls in the Gas Phase by Dorofeeva, Olga V, Moiseeva, Natalia F, Yungman, Vladimir S

“…The molecular structures, vibrational frequencies, and internal rotational potentials of 209 polychlorinated biphenyls were computed at the B3LYP/6-31G(d,p)…”
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Ideal gas thermodynamic properties of biphenyl by Dorofeeva, Olga V, Moiseeva, Natalia F, Yungman, Vladimir S, Novikov, Vladimir P

“…Ideal gas thermodynamic properties for biphenyl have been calculated by statistical thermodynamics method on the basis of available experimental data and the…”
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Thermodynamic Properties of Dibenzo-p-dioxin, Dibenzofuran, and Their Polychlorinated Derivatives in the Gaseous and Condensed Phases. 2. Thermodynamic Properties of Condensed Compounds by Iorish, Vladimir S, Dorofeeva, Olga V, Moiseeva, Natalia F

“…Thermodynamic data including enthalpies of formation and fusion, entropies, and heat capacities have been derived for dibenzo-p-dioxin, dibenzofuran, and their…”
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Thermodynamic Properties of Dibenzo-p-dioxin, Dibenzofuran, and Their Polychlorinated Derivatives in the Gaseous and Condensed Phases. 1. Thermodynamic Properties of Gaseous Compounds by Dorofeeva, Olga V, Iorish, Vladimir S, Moiseeva, Natalia F

“…Gas-phase thermodynamic properties (enthalpy of formation, entropy, and heat capacity) are estimated for dibenzo-p-dioxin (DD), dibenzofuran (DF), 75 possible…”
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Density functional theory study of conformations, barriers to internal rotations and torsional potentials of polychlorinated biphenyls by Dorofeeva, Olga V, Novikov, Vladimir P, Moiseeva, Natalia F, Yungman, Vladimir S

“…Torsional barriers, potential energy curves, structural parameters and vibrational frequencies were calculated for 119 polychlorinated biphenyls (PCBs) at the…”
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Molecular structure of carphedon as studied by gas electron diffraction and quantum chemical calculations by Ksenafontov, Denis N., Moiseeva, Natalia F., Rykov, Anatoliy N., Shishkov, Igor F., Oberhammer, Heinz

“…The gas-phase structure and conformational properties of carphedon (C 12 H 14 N 2 O 2 , phenylpiracetam, 2- oxo -4-phenyl-1-pyrrolidineacetamide) have been…”
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Assessment of Gaussian-3X theory for chlorinated organic molecules. Enthalpies of formation of chlorobenzenes and predictions for polychlorinated aromatic compounds by Dorofeeva, Olga V., Vishnevskiy, Yuriy V., Moiseeva, Natalia F.

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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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Thermodynamic properties of dibenzo-p-dioxin, dibenzofuran, and their polychlorinated derivatives in the gaseous and condensed phases. 2. Thermodynamic properties of condensed compounds by IORISH, Vladimir S, DOROFEEVA, Olga V, MOISEEVA, Natalia F

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Ideal gas thermodynamic properties of biphenyl by DOROFEEVA, Olga V, MOISEEVA, Natalia F, YUNGMAN, Vladimir S, NOVIKOV, Vladimir P

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