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Общее количество найденных документов : 70
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1.
Инвентарный номер: нет.
   
   A 10


   
    A computer study of the absorption of infrared radiation by systems of molecular clusters [Текст] / A. N. Novruzov, V. N. Chukanov, O. R. Rakhmanova, A. E. Galashev // High Temperature. - 2006. - Vol. 44, № 6. - С. 932-940
ББК 53
Рубрики: ФИЗИКА
Кл.слова (ненормированные):
MOLECULAR CLASTERS
Аннотация: The method of molecular dynamics is used to investigate the process of absorption of N2O and CH4 molecules by water clusters and to determine the frequency spectra of permittivity for systems consisting of clusters mixed in different ratios, namely, (H2O)n, (N2O)i(H2O)10, and (CH4)i(H2O)10. IR-radiation absorption spectra for these systems are calculated and analyzed; the radiation power scattered by these systems and the tangent of dielectric loss angle are determined. The inclusion of anharmonicity of phonon oscillation makes it possible to explain the origin of characteristic frequencies appearing in IR spectra of mixtures of cluster systems. The capture of molecules of greenhouse gases by an ultradisperse aqueous medium affects the ability of this medium to absorb terrestrial radiation, i.e., reduces the greenhouse effect.

\\\\Expert2\\NBO\\High Temperature\\2006, v.44, p.932.pdf
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2.
Инвентарный номер: нет.
   
   A 10


   
    A computer study of the absorption of infrared radiation by systems of molecular clusters [Текст] / A. N. Novruzov, V. N. Chukanov, O. R. Rakhmanova, A. E. Galashev // High Temperature. - 2006. - Vol. 44, № 6. - С. 932-940
ББК 53
Рубрики: ФИЗИКА
Кл.слова (ненормированные):
MOLECULAR CLASTERS
Аннотация: The method of molecular dynamics is used to investigate the process of absorption of N2O and CH4 molecules by water clusters and to determine the frequency spectra of permittivity for systems consisting of clusters mixed in different ratios, namely, (H2O)n, (N2O)i(H2O)10, and (CH4)i(H2O)10. IR-radiation absorption spectra for these systems are calculated and analyzed; the radiation power scattered by these systems and the tangent of dielectric loss angle are determined. The inclusion of anharmonicity of phonon oscillation makes it possible to explain the origin of characteristic frequencies appearing in IR spectra of mixtures of cluster systems. The capture of molecules of greenhouse gases by an ultradisperse aqueous medium affects the ability of this medium to absorb terrestrial radiation, i.e., reduces the greenhouse effect.

\\\\Expert2\\NBO\\High Temperature\\2006, v.44, p.932.pdf
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3.
Инвентарный номер: нет.
   
   G 15


    Galashev, A. E.
    A computer study of the absorption spectra of the water-carbon monoxide disperse system / A. E. Galashev, O. R. Rakhmanova // Russian Journal of Physical Chemistry B. - 2009. - Vol. 3, № 4. - С. 548-555
ББК 53
Рубрики: ФИЗИКА
Кл.слова (ненормированные):
IR ABSORPTION -- REFLECTANCE SPECTRA -- MOLECULAR DYNAMICS MODEL

\\\\Cserver\\dist\\НБО\\Электронная библиотека_Библиогр1\\Russian Journal of Physical Chemistry B\\2009, v. 3, N 4, p. 548.pdf
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4.
Инвентарный номер: нет.
   
   G 15


    Galashev, A. E.
    A computer study of the absorption spectra of the water-carbon monoxide disperse system / A. E. Galashev, O. R. Rakhmanova // Russian Journal of Physical Chemistry B. - 2009. - Vol. 3, № 4. - С. 548-555
ББК 53
Рубрики: ФИЗИКА
Кл.слова (ненормированные):
IR ABSORPTION -- REFLECTANCE SPECTRA -- MOLECULAR DYNAMICS MODEL

\\\\Cserver\\dist\\НБО\\Электронная библиотека_Библиогр1\\Russian Journal of Physical Chemistry B\\2009, v. 3, N 4, p. 548.pdf
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5.
Инвентарный номер: нет.
   
   G 15


    Galashev, A. E.
    Computational study of interaction of bromine ions with clusters (O2)6(H2O)50 and (O3)6(H2O)50 [Электронный ресурс] / A. E. Galashev, O. R. Rakhmanova, O. A. Novruzova // High Temperature. - 2011. - Vol.49, №4. - P528-538
ББК 53
Рубрики: ФИЗИКА
Кл.слова (ненормированные):
FLEXIBLE MOLECULES -- IR SPECTRUM -- MOLECULAR DYNAMICS
Аннотация: Abstract-Interaction of bromine ions with water clusters that have absorbed the molecules of oxygen and ozone is studied using a molecular-dynamics simulation of flexible molecules. The cases of location of Br-ions on the surface and in the bulk of the cluster are described. Water clusters with ozone molecules remain stable during their interaction with the Br - ions, while oxygen molecules are found to evaporate from the cluster when Br - ions appear in its bulk. In the presence of Br - ions, the infrared spectra of systems with O 3 molecules are observed to be intensified. The intensities of the IR spectra with O 2 molecules may both increase and decrease depending on the arrangement of the Br - ions. The Raman spectra are sensitive to the appearance of Br - ions only for systems that contain oxygen molecules. As a result of interaction with the Br-ions, the power of IR radiation emitted by the clusters can not only increase, but also decrease

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6.
Инвентарный номер: нет.
   
   G 15


    Galashev, A. E.
    Computational study of interaction of bromine ions with clusters (O2)6(H2O)50 and (O3)6(H2O)50 [Электронный ресурс] / A. E. Galashev, O. R. Rakhmanova, O. A. Novruzova // High Temperature. - 2011. - Vol.49, №4. - P528-538
ББК 53
Рубрики: ФИЗИКА
Кл.слова (ненормированные):
FLEXIBLE MOLECULES -- IR SPECTRUM -- MOLECULAR DYNAMICS
Аннотация: Abstract-Interaction of bromine ions with water clusters that have absorbed the molecules of oxygen and ozone is studied using a molecular-dynamics simulation of flexible molecules. The cases of location of Br-ions on the surface and in the bulk of the cluster are described. Water clusters with ozone molecules remain stable during their interaction with the Br - ions, while oxygen molecules are found to evaporate from the cluster when Br - ions appear in its bulk. In the presence of Br - ions, the infrared spectra of systems with O 3 molecules are observed to be intensified. The intensities of the IR spectra with O 2 molecules may both increase and decrease depending on the arrangement of the Br - ions. The Raman spectra are sensitive to the appearance of Br - ions only for systems that contain oxygen molecules. As a result of interaction with the Br-ions, the power of IR radiation emitted by the clusters can not only increase, but also decrease

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7.
Инвентарный номер: нет.
   
   C 73


   
    Computer simulation of oxygen and nitrate ion absorption by water clusters [Электронный ресурс] / A. E. Galashev, O. R. Rakhmanova, O. A. Novruzova, A. A. Galasheva, A. N. Novruzov // Colloid Journal (Translation of Kolloidnyi Zhurnal)
ББК 53
Рубрики: ФИЗИКА
Кл.слова (ненормированные):
AQUEOUS SYSTEM -- DIELECTRIC PERMITTIVITIES -- FLEXIBLE MOLECULES
Аннотация: Using the molecular dynamics method, the joint absorption of oxygen and nitrate ions by water clusters is studied in terms of the polarizable model of flexible molecules. Significant fluctuations are observed in the number of hydrogen bonds in the clusters during the addition of MO 3 -ions to water-oxygen aggregates. Dielectric permittivity noticeably changes upon the addition of O 2 molecules to water clusters and nitrate ions to oxygen-containing water clusters. After the absorption of oxygen molecules and nitrate ions, water clusters markedly lose the ability to IR absorption. The Raman spectrum of a medium formed from disperse aqueous system, oxygen, and nitrate ions displays a greater number of bands than the spectrum of a system of pure water clusters

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8.
Инвентарный номер: нет.
   
   C 73


   
    Computer simulation of oxygen and nitrate ion absorption by water clusters [Электронный ресурс] / A. E. Galashev, O. R. Rakhmanova, O. A. Novruzova, A. A. Galasheva, A. N. Novruzov // Colloid Journal (Translation of Kolloidnyi Zhurnal)
ББК 53
Рубрики: ФИЗИКА
Кл.слова (ненормированные):
AQUEOUS SYSTEM -- DIELECTRIC PERMITTIVITIES -- FLEXIBLE MOLECULES
Аннотация: Using the molecular dynamics method, the joint absorption of oxygen and nitrate ions by water clusters is studied in terms of the polarizable model of flexible molecules. Significant fluctuations are observed in the number of hydrogen bonds in the clusters during the addition of MO 3 -ions to water-oxygen aggregates. Dielectric permittivity noticeably changes upon the addition of O 2 molecules to water clusters and nitrate ions to oxygen-containing water clusters. After the absorption of oxygen molecules and nitrate ions, water clusters markedly lose the ability to IR absorption. The Raman spectrum of a medium formed from disperse aqueous system, oxygen, and nitrate ions displays a greater number of bands than the spectrum of a system of pure water clusters

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9.
Инвентарный номер: нет.
   
   C 74


   
    Computer simulation of the adsorption of acetylene by disperse aqueous medium. IR spectra / A. N. Novruzov, O. R. Rakhmanova, O. A. Novruzova, A. E. Galashev // Russian Journal of General Chemistry. - 2008. - Vol. 78, № 1. - С. 73-81
ББК 53
Рубрики: ФИЗИКА
Кл.слова (ненормированные):
MOLECULES ACETYLENE -- WATER CLUSTERS -- IR ABSORPTION

\\\\Expert2\\NBO\\Russian Journal of General Chemistry\\2008, V. 78, N 1, p.73.pdf
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10.
Инвентарный номер: нет.
   
   C 74


   
    Computer simulation of the adsorption of acetylene by disperse aqueous medium. IR spectra / A. N. Novruzov, O. R. Rakhmanova, O. A. Novruzova, A. E. Galashev // Russian Journal of General Chemistry. - 2008. - Vol. 78, № 1. - С. 73-81
ББК 53
Рубрики: ФИЗИКА
Кл.слова (ненормированные):
MOLECULES ACETYLENE -- WATER CLUSTERS -- IR ABSORPTION

\\\\Expert2\\NBO\\Russian Journal of General Chemistry\\2008, V. 78, N 1, p.73.pdf
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