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Общее количество найденных документов : 18
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 1-10    11-18 
1.
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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2.
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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3.
Инвентарный номер: нет.
   
   G 15

    Galashev, A. E.
    Computer simulation of the cluster destruction of stratospheric ozone by bromine [Электронный ресурс] / A. E. Galashev, O. R. Rakhmanova // Chinese Physics B . - 2012. - Vol. 21, №11. - P113602
ББК 53
Рубрики: ФИЗИКА
Кл.слова (ненормированные):
BROMINE IONS -- INFRARED AND RAMAN SPECTRA -- WATER CLUSTERS
Аннотация: The interaction of (Br -) iH 2O) 50-i, 0 ≤ i ≤ 6 clusters with oxygen and ozone molecules is investigated by the method of molecular dynamics simulation. The ozone molecules as well as the bromine ions do not leave the cluster during the calculation of 25 ps. The ability of the cluster containing molecular oxygen to absorb the infrared (IR) radiation is reduced in the frequency range of 0 ≤ ω ≤ 3500 cm -1 when the number of the bromine ions in the cluster grows. The intensity of the Raman spectrum is not changed significantly when the Br - ions are added to the ozone-containing system. The power of the emitted IR radiation is increased when the number of bromine ions grows in the oxygen-containing system. The data obtained in this study on the IR and the Raman spectra of the water clusters that contain ozone, oxygen, and Br - can be used to develop an investigation of the mechanisms of ozone depletion

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4.
Инвентарный номер: нет.
   
   G 15

    Galashev, A. E.
    Computer simulation of the cluster destruction of stratospheric ozone by bromine [Электронный ресурс] / A. E. Galashev, O. R. Rakhmanova // Chinese Physics B . - 2012. - Vol. 21, №11. - P113602
ББК 53
Рубрики: ФИЗИКА
Кл.слова (ненормированные):
BROMINE IONS -- INFRARED AND RAMAN SPECTRA -- WATER CLUSTERS
Аннотация: The interaction of (Br -) iH 2O) 50-i, 0 ≤ i ≤ 6 clusters with oxygen and ozone molecules is investigated by the method of molecular dynamics simulation. The ozone molecules as well as the bromine ions do not leave the cluster during the calculation of 25 ps. The ability of the cluster containing molecular oxygen to absorb the infrared (IR) radiation is reduced in the frequency range of 0 ≤ ω ≤ 3500 cm -1 when the number of the bromine ions in the cluster grows. The intensity of the Raman spectrum is not changed significantly when the Br - ions are added to the ozone-containing system. The power of the emitted IR radiation is increased when the number of bromine ions grows in the oxygen-containing system. The data obtained in this study on the IR and the Raman spectra of the water clusters that contain ozone, oxygen, and Br - can be used to develop an investigation of the mechanisms of ozone depletion

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5.
Инвентарный номер: нет.
   
   G 15

    Galashev, A. E.
    Computer study of the effects of ozone absorption by an ultradisperse aqueous medium [Электронный ресурс] / A. E. Galashev, O. R. Rakhmanova // Journal of Engineering Physics and Thermophysics. - 2011. - Vol.84, №6. - P1231-1241
ББК 53
Рубрики: ФИЗИКА
Кл.слова (ненормированные):
EMISSION-POWER SPECTRA -- INFRARED SPECTRA -- WATER CLUSTERS
Аннотация: The interaction of ozone molecules with water clusters at a temperature corresponding to the middle zones of the troposphere and the stratosphere has been studied by the molecular-dynamics method. It has been established that the integral intensities of the infrared absorption spectrum and the Raman spectrum of an ultradisperse aqueous system decrease substantially in absorption of ozone by it. It has been shown that in this case the emission power of the IR-radiation energy stored by the entire ozonized disperse aqueous medium grows

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6.
Инвентарный номер: нет.
   
   G 15

    Galashev, A. E.
    Computer study of the effects of ozone absorption by an ultradisperse aqueous medium [Электронный ресурс] / A. E. Galashev, O. R. Rakhmanova // Journal of Engineering Physics and Thermophysics. - 2011. - Vol.84, №6. - P1231-1241
ББК 53
Рубрики: ФИЗИКА
Кл.слова (ненормированные):
EMISSION-POWER SPECTRA -- INFRARED SPECTRA -- WATER CLUSTERS
Аннотация: The interaction of ozone molecules with water clusters at a temperature corresponding to the middle zones of the troposphere and the stratosphere has been studied by the molecular-dynamics method. It has been established that the integral intensities of the infrared absorption spectrum and the Raman spectrum of an ultradisperse aqueous system decrease substantially in absorption of ozone by it. It has been shown that in this case the emission power of the IR-radiation energy stored by the entire ozonized disperse aqueous medium grows

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7.
Инвентарный номер: нет.
   
   G 15

    Galashev, A. E.
    Interaction of chloride ions with water clusters absorbing ozone: A computer experiment [Электронный ресурс] / A. E. Galashev, O. R. Rakhmanova // Russian Journal of Physical Chemistry B. - 2011. - Vol. 5, №2. - P197-208
ББК 53
Рубрики: ФИЗИКА
Кл.слова (ненормированные):
INTERACTION -- THE CHLORIDE IONS -- WATER CLUSTERS
Аннотация: The molecular dynamics method is used to investigate the interaction of two, four, and six chloride ions with (H2O)50, clusters absorbing six ozone molecules. Chloride ions moving toward the cluster penetrate into it. The presence of ozone increases the residence time of Cl- ions in the cluster. The duration of the perturbation increases with the number of Cl- ions surrounding 6O3 + (H2O) 50 the system. The interaction with Cl- ions enhances the positional disorder of the molecules in the system and enhances the intensity of absorption and emission of infrared radiation. These changes, however, are not monotonic function of the number of ions perturbing the system. As a result of the interaction with Cl- ions, the integrated intensity of the Raman scattering on (O3)6 (H2O)50 the cluster in the frequency range 0 ≤ ω ≤ 1100 cm-1 is significantly lower and the number of peaks in the spectrum is smaller

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8.
Инвентарный номер: нет.
   
   G 15

    Galashev, A. E.
    Interaction of chloride ions with water clusters absorbing ozone: A computer experiment [Электронный ресурс] / A. E. Galashev, O. R. Rakhmanova // Russian Journal of Physical Chemistry B. - 2011. - Vol. 5, №2. - P197-208
ББК 53
Рубрики: ФИЗИКА
Кл.слова (ненормированные):
INTERACTION -- THE CHLORIDE IONS -- WATER CLUSTERS
Аннотация: The molecular dynamics method is used to investigate the interaction of two, four, and six chloride ions with (H2O)50, clusters absorbing six ozone molecules. Chloride ions moving toward the cluster penetrate into it. The presence of ozone increases the residence time of Cl- ions in the cluster. The duration of the perturbation increases with the number of Cl- ions surrounding 6O3 + (H2O) 50 the system. The interaction with Cl- ions enhances the positional disorder of the molecules in the system and enhances the intensity of absorption and emission of infrared radiation. These changes, however, are not monotonic function of the number of ions perturbing the system. As a result of the interaction with Cl- ions, the integrated intensity of the Raman scattering on (O3)6 (H2O)50 the cluster in the frequency range 0 ≤ ω ≤ 1100 cm-1 is significantly lower and the number of peaks in the spectrum is smaller

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9.
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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10.
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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 1-10    11-18 
 
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