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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.
   
   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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4.
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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5.
Инвентарный номер: нет.
   
   C 74


   
    Computer study of physical and chemical properties of stretched noncrystalline silicon nanoparticles [Текст] / A. E. Galashev, I. A. Izmodenov, O. R. Rakhmanova, O. A. Novruzova // Poverkhnost. - 2007. - № 8. - С. 95-103
ББК 53
Рубрики: ФИЗИКА
Кл.слова (ненормированные):
PHYSICAL PROPERTIES

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6.
Инвентарный номер: нет.
   
   C 74


   
    Computer study of physical and chemical properties of stretched noncrystalline silicon nanoparticles [Текст] / A. E. Galashev, I. A. Izmodenov, O. R. Rakhmanova, O. A. Novruzova // Poverkhnost. - 2007. - № 8. - С. 95-103
ББК 53
Рубрики: ФИЗИКА
Кл.слова (ненормированные):
PHYSICAL PROPERTIES

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7.
Инвентарный номер: нет.
   
   C 74


   
    Computer study of physical properties of silicon nanostructures [Текст] / A. E. Galashev, I. A. Izmodenov, A. N. Novruzov, O. A. Novruzova // Semiconductors. - 2007. - Vol. 41, № 2. - С. 190-196
ББК 53
Рубрики: ФИЗИКА
Кл.слова (ненормированные):
PHYSICAL PROPERTIES
Аннотация: The method of molecular dynamics is applied to the study of variations in the physical properties of vitreous and amorphous silicon nanoparticles when heated from 300 to 1700 K. The nanoparticles consist of 300, 400, and 500 atoms. The energy and the average length of the Si-Si bond are calculated, and the average number of bonds per atom is determined. Thermally induced strains tend to change the distribution of the excess potential energy among the concentric layers in the nanoparticles. It is shown that, energetically, the most preferential layer is the middle spherical layer of the “warm” nanoparticle. The temperature behavior of the radial and tangential components of the atomic mobility coefficient in the concentric layers is considered. It is established that there is a liquid layer at the nanoparticle surface in the vicinity of the transition to melting. The vitrified Sin nanoparticles are kinetically more stable than the similar-sized amorphous particles.

\\\\Expert2\\NBO\\Semiconductors (ФТП)\\2007, v.41, N 2, p.190.pdf
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8.
Инвентарный номер: нет.
   
   C 74


   
    Computer study of physical properties of silicon nanostructures [Текст] / A. E. Galashev, I. A. Izmodenov, A. N. Novruzov, O. A. Novruzova // Semiconductors. - 2007. - Vol. 41, № 2. - С. 190-196
ББК 53
Рубрики: ФИЗИКА
Кл.слова (ненормированные):
PHYSICAL PROPERTIES
Аннотация: The method of molecular dynamics is applied to the study of variations in the physical properties of vitreous and amorphous silicon nanoparticles when heated from 300 to 1700 K. The nanoparticles consist of 300, 400, and 500 atoms. The energy and the average length of the Si-Si bond are calculated, and the average number of bonds per atom is determined. Thermally induced strains tend to change the distribution of the excess potential energy among the concentric layers in the nanoparticles. It is shown that, energetically, the most preferential layer is the middle spherical layer of the “warm” nanoparticle. The temperature behavior of the radial and tangential components of the atomic mobility coefficient in the concentric layers is considered. It is established that there is a liquid layer at the nanoparticle surface in the vicinity of the transition to melting. The vitrified Sin nanoparticles are kinetically more stable than the similar-sized amorphous particles.

\\\\Expert2\\NBO\\Semiconductors (ФТП)\\2007, v.41, N 2, p.190.pdf
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9.
Инвентарный номер: нет.
   
   C 74


   
    Computer study of temperature dependence of physical properties of noncrystalline silicon nanoparticles [Текст] / A. E. Galashev, I. A. Izmodenov, O. A. Novruzova, A. N. Novruzov // Poverkhnost. - 2007. - № 5. - С. 74-81
ББК 53
Рубрики: ФИЗИКА
Кл.слова (ненормированные):
PHYSICAL PROPERTIES

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10.
Инвентарный номер: нет.
   
   C 74


   
    Computer study of temperature dependence of physical properties of noncrystalline silicon nanoparticles [Текст] / A. E. Galashev, I. A. Izmodenov, O. A. Novruzova, A. N. Novruzov // Poverkhnost. - 2007. - № 5. - С. 74-81
ББК 53
Рубрики: ФИЗИКА
Кл.слова (ненормированные):
PHYSICAL PROPERTIES

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11.
Инвентарный номер: нет.
   
   D 47


   
    Determination of acetylene solubility in dispersed water by computer simulation [Текст] / A. N. Novruzov, O. R. Rakhmanova, O. A. Novruzova, A. E. Galashev // Neftekhimiya. - 2007. - Vol. 47, № 6. - С. 474-480
ББК 53
Рубрики: ФИЗИКА
Кл.слова (ненормированные):
ACETYLENE

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12.
Инвентарный номер: нет.
   
   D 47


   
    Determination of acetylene solubility in dispersed water by computer simulation [Текст] / A. N. Novruzov, O. R. Rakhmanova, O. A. Novruzova, A. E. Galashev // Neftekhimiya. - 2007. - Vol. 47, № 6. - С. 474-480
ББК 53
Рубрики: ФИЗИКА
Кл.слова (ненормированные):
ACETYLENE

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13.
Инвентарный номер: нет.
   
   G 15


    Galashev, A. E.
    Calculation of spectral characteristics of water clusters upon interaction with oxygen molecules and bromine ions / A. E. Galashev, O. R. Rakhmanova, O. A. Novruzova // Colloid Journal (Translation of Kolloidnyi Zhurnal). - 2010. - Vol. 72, № 6. - С. 780-787
ББК 53
Рубрики: ФИЗИКА
Кл.слова (ненормированные):
MOLECULAR DYNAMICS METHOD -- BROMINE IONS -- CLUSTERS

\\\\Expert2\\NBO\\Colloid Journal\\2010, V.72, N 6, 780.pdf
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14.
Инвентарный номер: нет.
   
   G 15


    Galashev, A. E.
    Calculation of spectral characteristics of water clusters upon interaction with oxygen molecules and bromine ions / A. E. Galashev, O. R. Rakhmanova, O. A. Novruzova // Colloid Journal (Translation of Kolloidnyi Zhurnal). - 2010. - Vol. 72, № 6. - С. 780-787
ББК 53
Рубрики: ФИЗИКА
Кл.слова (ненормированные):
MOLECULAR DYNAMICS METHOD -- BROMINE IONS -- CLUSTERS

\\\\Expert2\\NBO\\Colloid Journal\\2010, V.72, N 6, 780.pdf
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15.
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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16.
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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17.
Инвентарный номер: нет.
   
   G 15


    Galashev, A. E.
    Molecular dynamics calculation of spectral characteristics of water clusters in the presence of ozone molecules and chlorine ions / A. E. Galashev, O. R. Rakhmanova, O. A. Novruzova // Russian Journal of General Chemistry. - 2009. - Vol. 79, № 9. - С. 1765-1772
ББК 53
Рубрики: ФИЗИКА
Кл.слова (ненормированные):
CHARACTERISTICS SPECTRAL -- METHOD MOLECULAR DYNAMICS -- CLUSTER

\\\\Expert2\\NBO\\Russian Journal of General Chemistry\\2009, V. 79, N 9, p.1765.pdf
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18.
Инвентарный номер: нет.
   
   G 15


    Galashev, A. E.
    Molecular dynamics calculation of spectral characteristics of water clusters in the presence of ozone molecules and chlorine ions / A. E. Galashev, O. R. Rakhmanova, O. A. Novruzova // Russian Journal of General Chemistry. - 2009. - Vol. 79, № 9. - С. 1765-1772
ББК 53
Рубрики: ФИЗИКА
Кл.слова (ненормированные):
CHARACTERISTICS SPECTRAL -- METHOD MOLECULAR DYNAMICS -- CLUSTER

\\\\Expert2\\NBO\\Russian Journal of General Chemistry\\2009, V. 79, N 9, p.1765.pdf
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19.
Инвентарный номер: нет.
   
   G 15


    Galashev, A. E.
    Molecular-dynamic modeling of the spectral characteristics of the ozone-water cluster system [Электронный ресурс] / A. E. Galashev, O. R. Rakhmanova, O. A. Novruzova // High Temperature. - 2011. - Vol.49, №2. - P193-196
ББК 53
Рубрики: ФИЗИКА
Кл.слова (ненормированные):
AQUEOUS SYSTEM -- CLUSTER SYSTEMS -- HIGHLY SENSITIVE
Аннотация: The absorption of one to six ozone molecules by the (H 2O) 25 cluster is studied by the method of molecular dynamics under near-atmospheric conditions. The capture of O 3 molecules by a water cluster produces a decrease in the integral intensity of IR absorption, reflection, and Raman spectra. IR absorption spectra are highly sensitive to the number of ozone molecules absorbed by a water cluster. The observed photon emission time and the radiation intensity of a dispersed aqueous system with absorbed ozone molecules are appreciably reduced relative to the analogous characteristics of a pure water cluster system

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20.
Инвентарный номер: нет.
   
   G 15


    Galashev, A. E.
    Molecular-dynamic modeling of the spectral characteristics of the ozone-water cluster system [Электронный ресурс] / A. E. Galashev, O. R. Rakhmanova, O. A. Novruzova // High Temperature. - 2011. - Vol.49, №2. - P193-196
ББК 53
Рубрики: ФИЗИКА
Кл.слова (ненормированные):
AQUEOUS SYSTEM -- CLUSTER SYSTEMS -- HIGHLY SENSITIVE
Аннотация: The absorption of one to six ozone molecules by the (H 2O) 25 cluster is studied by the method of molecular dynamics under near-atmospheric conditions. The capture of O 3 molecules by a water cluster produces a decrease in the integral intensity of IR absorption, reflection, and Raman spectra. IR absorption spectra are highly sensitive to the number of ozone molecules absorbed by a water cluster. The observed photon emission time and the radiation intensity of a dispersed aqueous system with absorbed ozone molecules are appreciably reduced relative to the analogous characteristics of a pure water cluster system

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