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 Найдено в других БД:Каталог книг и продолжающихся изданий (11)Нанотехнологии (1)Труды Института высокотемпературной электрохимии УрО РАН (19)Труды сотрудников Института органического синтеза УрО РАН (25)Труды сотрудников Института химии твердого тела УрО РАН (28)Расплавы (6)Публикации Чарушина В.Н. (7)Каталог библиотеки ИЭРиЖ УрО РАН (2)
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Общее количество найденных документов : 78
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1.
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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2.
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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3.
Инвентарный номер: нет.
   
   G 15

    Galashev, A. E.
    Emissivity of the main greenhouse gases [Electronic resource] / A. E. Galashev, O. R. Rakhmanova // Russian Journal of Physical Chemistry B. - 2013. - Vol.7, №3. - P346-353. - Bibliogr. : p. 353 (18 ref.)
ББК 53
Рубрики: ФИЗИКА
Кл.слова (ненормированные):
ABSORPTION AND EMISSION SPECTRA -- GREENHOUSE GASES -- IR ABSORPTION
Аннотация: Based on the high-resolution data on the absorption lines of gases from the HITRAN open inter-national database in conjunction with inverse Fourier transform, the autocorrelation function of the total dipole moment of the molecules of the main greenhouse gases, such as H2O, CO2, O3, N2O, and CH4, are determined. The spectral absorption coefficient and spectral radiance of these gases in the investigated IR region is calculated. An analysis of the emissivity of each of the gases is performed. An efficiency criterion of IR absorption and emission is introduced, according to which the studies gases are ranked

\\\\expert2\\NBO\\Russian Journal of Physical Chemistry B\\2013, v. 7, N 3, p. 346.pdf
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4.
Инвентарный номер: нет.
   
   G 15

    Galashev, A. E.
    Temperature changes of the optical properties of (SiO2) n, (GaAs) m, and (SiO2) n (GaAs) m nanoparticles: Computer experiment [Электронный ресурс] / A. E. Galashev, O. R. Rakhmanova // High Temperature. - 2013. - Vol.51, №1. - P97-105
ББК 53
Рубрики: ФИЗИКА
Кл.слова (ненормированные):
GALLIUM ARSENIDE -- PERMITTIVITY -- SEMICONDUCTING GALLIUM
Аннотация: The optical properties of silicon dioxide and gallium arsenide nanoparticles and the four-component particles based on them were calculated by the molecular dynamics method. The complex dielectric permittivity, infrared and Raman spectra, refractive index, and absorption coefficient of these nano particles were determined. The temperature dependences of the infrared and Raman spectra and the number of the optically active electrons in the nanoparticles composed of a semiconductor and/or a dielectric were investigated

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5.
Инвентарный номер: нет.
   
   G 15

    Galashev, A. E.
    Computer study of methane adsorption by water clusters [Electronic resource] / A. E. Galashev, O. R. Rakhmanova // High Temperature. - 2013. - Vol.51, №3. - P369-376. - Bibliogr. : p. 375-376 (36 ref.)
ББК 53
Рубрики: ФИЗИКА
Кл.слова (ненормированные):
DIELECTRIC PERMITTIVITIES -- FREQUENCY DEPENDENCE -- HIGH-FREQUENCY MODE
Аннотация: Methane adsorption by water clusters including 50 molecules was studied by the molecular dynamics (MD) technique. The calculated frequency dependence of the real and imaginary parts of the dielectric permittivity points to the prevalence of a high-frequency mode in the spectra of these parameters after methane is adsorbed by water clusters. Such changes are also observed in the spectrum of the IR radiation absorption coefficient; however, the average value of this coefficient remains nearly the same. Methane adsorption causes a considerable increase in the reflection coefficient of the disperse water medium and the integrated power of IR radiation emission

\\\\expert2\\NBO\\High Temperature\\2013, v. 51, N 3, p.369-376.pdf
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6.
Инвентарный номер: нет.
   
   G 15

    Galashev, A. E.
    Computer study of methane adsorption by water clusters [Electronic resource] / A. E. Galashev, O. R. Rakhmanova // High Temperature. - 2013. - Vol.51, №3. - P369-376. - Bibliogr. : p. 375-376 (36 ref.)
ББК 53
Рубрики: ФИЗИКА
Кл.слова (ненормированные):
DIELECTRIC PERMITTIVITIES -- FREQUENCY DEPENDENCE -- HIGH-FREQUENCY MODE
Аннотация: Methane adsorption by water clusters including 50 molecules was studied by the molecular dynamics (MD) technique. The calculated frequency dependence of the real and imaginary parts of the dielectric permittivity points to the prevalence of a high-frequency mode in the spectra of these parameters after methane is adsorbed by water clusters. Such changes are also observed in the spectrum of the IR radiation absorption coefficient; however, the average value of this coefficient remains nearly the same. Methane adsorption causes a considerable increase in the reflection coefficient of the disperse water medium and the integrated power of IR radiation emission

\\\\expert2\\NBO\\High Temperature\\2013, v. 51, N 3, p.369-376.pdf
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7.
Инвентарный номер: нет.
   
   G 15

    Galashev, A. E.
    Emissivity of the main greenhouse gases [Electronic resource] / A. E. Galashev, O. R. Rakhmanova // Russian Journal of Physical Chemistry B. - 2013. - Vol.7, №3. - P346-353. - Bibliogr. : p. 353 (18 ref.)
ББК 53
Рубрики: ФИЗИКА
Кл.слова (ненормированные):
ABSORPTION AND EMISSION SPECTRA -- GREENHOUSE GASES -- IR ABSORPTION
Аннотация: Based on the high-resolution data on the absorption lines of gases from the HITRAN open inter-national database in conjunction with inverse Fourier transform, the autocorrelation function of the total dipole moment of the molecules of the main greenhouse gases, such as H2O, CO2, O3, N2O, and CH4, are determined. The spectral absorption coefficient and spectral radiance of these gases in the investigated IR region is calculated. An analysis of the emissivity of each of the gases is performed. An efficiency criterion of IR absorption and emission is introduced, according to which the studies gases are ranked

\\\\expert2\\NBO\\Russian Journal of Physical Chemistry B\\2013, v. 7, N 3, p. 346.pdf
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8.
Инвентарный номер: нет.
   
   G 15

    Galashev, A. E.
    Temperature changes of the optical properties of (SiO2) n, (GaAs) m, and (SiO2) n (GaAs) m nanoparticles: Computer experiment [Электронный ресурс] / A. E. Galashev, O. R. Rakhmanova // High Temperature. - 2013. - Vol.51, №1. - P97-105
ББК 53
Рубрики: ФИЗИКА
Кл.слова (ненормированные):
GALLIUM ARSENIDE -- PERMITTIVITY -- SEMICONDUCTING GALLIUM
Аннотация: The optical properties of silicon dioxide and gallium arsenide nanoparticles and the four-component particles based on them were calculated by the molecular dynamics method. The complex dielectric permittivity, infrared and Raman spectra, refractive index, and absorption coefficient of these nano particles were determined. The temperature dependences of the infrared and Raman spectra and the number of the optically active electrons in the nanoparticles composed of a semiconductor and/or a dielectric were investigated

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9.
Инвентарный номер: нет.
   
   G 15

    Galashev, A. E.
    Spectral characteristics of water clusters in the presence of nitrate ions [Электронный ресурс] / A. E. Galashev // Colloid Journal (Translation of Kolloidnyi Zhurnal). - 2012. - Vol.74, №6. - P655-662
ББК 53
Рубрики: ФИЗИКА
Кл.слова (ненормированные):
DIELECTRIC PERMITTIVITIES -- FLEXIBLE MOLECULES -- IR ABSORPTION COEFFICIENT
Аннотация: Nitrate ion adsorption by water clusters is studied using the molecular dynamics method combined with a polarizable model of flexible molecules. It is established that successive addition of one to six NO 3 - ions to an (H2O)50 cluster decreases the averaged electrical potential related to the center of masses of water molecules. The (H2O)50 cluster retains its thermodynamic stability, provided that no more than three nitrate ions are added to it. After NO 3 - ions are adsorbed, the real and imaginary components of the dielectric permittivity and the intensity of the Raman spectrum decrease, while the intensity of the IR absorption spectrum increases. Moreover, ion adsorption by the water cluster reduces the IR absorption coefficient and refractive index

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10.
Инвентарный номер: нет.
   
   G 15

    Galashev, A. E.
    Molecular dynamics simulation of adsorption of ozone and nitrate ions by water clusters [Электронный ресурс] / A. E. Galashev // High Temperature. - 2012. - Vol.50, №2. - P204-213
ББК 53
Рубрики: ФИЗИКА
Кл.слова (ненормированные):
CO-ADSORPTION -- DISPERSE SYSTEMS -- NITRATE IONS
Аннотация: Coadsorption of ozone molecules and nitrate ions by water clusters was studied by the molecular dynamics technique. The maximum value of an average O-H⋯O bond length in a water carcass is realized at the minimum specific number of such bonds when the ratio of adsorbed ozone molecules to nitrate ions captured by a cluster is two. IR absorption and reflection spectra were reshaped significantly, and new peaks appeared at Raman spectra due to the addition of ozone and nitrate ions to the disperse water system. After ozone and nitrate ions were captured, the average (in frequency) IR reflection coefficient of the water disperse system increased drastically and the absorption coefficient fell

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