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 Найдено в других БД:Каталог книг и продолжающихся изданий (5)Каталог препринтов УрО РАН (1975 г. - ) (1)Нанотехнологии (1)Труды Института высокотемпературной электрохимии УрО РАН (2)Труды сотрудников Института органического синтеза УрО РАН (10)Труды сотрудников Института химии твердого тела УрО РАН (29)Расплавы (2)Публикации Чарушина В.Н. (1)
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Поисковый запрос: (<.>K=CLUSTER<.>)
Общее количество найденных документов : 76
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 1-10    11-20   21-30   31-40   41-50   51-60      
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.
    Application of Molecular Dynamic Simulation of Water Clusters with CO and CO2 Molecules to Binary Nucleation Problems / A. E. Galashev, V. N. Chukanov, G. I. Pozharskaya // Journal of Structural Chemistry. - 2002. - Vol. 43, № 3. - С. 449-457 : рис.
ББК 53
Рубрики: ФИЗИКА
Кл.слова (ненормированные):
GLOBAL CLUSTER GEOMETRY OPTIMIZATION -- THERMODYNAMIC PROPERTIES -- CLUSTERS

\\\\Expert2\\NBO\\Journal of Structural Chemistry\\2002, V. 43, N 3, p.449.pdf
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4.
Инвентарный номер: нет.
   
   G 15

    Galashev, A. E.
    Application of Molecular Dynamic Simulation of Water Clusters with CO and CO2 Molecules to Binary Nucleation Problems / A. E. Galashev, V. N. Chukanov, G. I. Pozharskaya // Journal of Structural Chemistry. - 2002. - Vol. 43, № 3. - С. 449-457 : рис.
ББК 53
Рубрики: ФИЗИКА
Кл.слова (ненормированные):
GLOBAL CLUSTER GEOMETRY OPTIMIZATION -- THERMODYNAMIC PROPERTIES -- CLUSTERS

\\\\Expert2\\NBO\\Journal of Structural Chemistry\\2002, V. 43, N 3, p.449.pdf
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5.
Инвентарный номер: нет.
   
   G 15

    Galashev, A. E.
    Atomic dynamics and the size of metal clusters [] : a computer experiment / A. E. Galashev // Surface (Russia). - 1997. - N2. - С. 5-13
ББК 53
Рубрики: ФИЗИКА
Кл.слова (ненормированные):
DYNAMICS ATOMIC -- CLUSTERS METAL -- Na -- Al -- Pb -- CRYSTAL
Аннотация: A computer study of atomic dynamics of metal clusters Na229, Al201 and Pb201 whose intial packing corresponded to extended crystals was carried out. The change of mobility in the radial direction of clusters was inverstigated. A reduction in lattice parameters of clusters Al201, Pb201 and some increase of the size of cluster Na229 have been found

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6.
Инвентарный номер: нет.
   
   G 15

    Galashev, A. E.
    Atomic dynamics and the size of metal clusters [] : a computer experiment / A. E. Galashev // Surface (Russia). - 1997. - N2. - С. 5-13
ББК 53
Рубрики: ФИЗИКА
Кл.слова (ненормированные):
DYNAMICS ATOMIC -- CLUSTERS METAL -- Na -- Al -- Pb -- CRYSTAL
Аннотация: A computer study of atomic dynamics of metal clusters Na229, Al201 and Pb201 whose intial packing corresponded to extended crystals was carried out. The change of mobility in the radial direction of clusters was inverstigated. A reduction in lattice parameters of clusters Al201, Pb201 and some increase of the size of cluster Na229 have been found

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7.
Инвентарный номер: нет.
   
   S 34

    Schmelzer, J. W. P.
    Classical and generalized Gibbs' approaches and the work of critical cluster formation in nucleation theory [Electronic resource] / J. W. P. Schmelzer, G. Sh. Boltachev, V. G. Baidakov // Journal of Chemical Physics. - 2006. - Vol. 124, № 19. - P194503/1-194503/18
ББК 53
Рубрики: ФИЗИКА
Кл.слова (ненормированные):
CLUSTERS
Аннотация: In the theoretical interpretation of the kinetics of first-order phase transitions, thermodynamic concepts developed long ago by Gibbs are widely employed giving some basic qualitative insights into these processes. However, from a quantitative point of view, the results of such analysis, based on the classical Gibbs approach and involving in addition the capillarity approximation, are often not satisfactory. Some progress can be reached here by the van der Waals and more advanced density functional methods of description of thermodynamically heterogeneous systems having, however, its limitations in application to the interpretation of experimental data as well. Moreover, both mentioned theories—Gibbs’ and density functional approaches—lead to partly contradicting each other’s results. As shown in preceding papers, by generalizing Gibbs’ approach, existing deficiencies and internal contradictions of these two well-established theories can be removed and a new generally applicable tool for the interpretation of phase formation processes can be developed. In the present analysis, a comparative analysis of the basic assumptions and predictions of the classical and the generalized Gibbs approaches is given. It is shown, in particular, that—interpreted in terms of the generalized Gibbs approach—the critical cluster as determined via the classical Gibbs approach corresponds not to a saddle but to a ridge point of the appropriate thermodynamic potential hypersurface. By this reason, the classical Gibbs approach (involving the classical capillarity approximation) overestimates as a rule the work of critical cluster formation in nucleation theory and, in general, considerably.

\\\\Expert2\\NBO\\Journal of Chemical Physics\\2006, v.124, p.194503.pdf
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8.
Инвентарный номер: нет.
   
   S 34

    Schmelzer, J. W. P.
    Classical and generalized Gibbs' approaches and the work of critical cluster formation in nucleation theory [Electronic resource] / J. W. P. Schmelzer, G. Sh. Boltachev, V. G. Baidakov // Journal of Chemical Physics. - 2006. - Vol. 124, № 19. - P194503/1-194503/18
ББК 53
Рубрики: ФИЗИКА
Кл.слова (ненормированные):
CLUSTERS
Аннотация: In the theoretical interpretation of the kinetics of first-order phase transitions, thermodynamic concepts developed long ago by Gibbs are widely employed giving some basic qualitative insights into these processes. However, from a quantitative point of view, the results of such analysis, based on the classical Gibbs approach and involving in addition the capillarity approximation, are often not satisfactory. Some progress can be reached here by the van der Waals and more advanced density functional methods of description of thermodynamically heterogeneous systems having, however, its limitations in application to the interpretation of experimental data as well. Moreover, both mentioned theories—Gibbs’ and density functional approaches—lead to partly contradicting each other’s results. As shown in preceding papers, by generalizing Gibbs’ approach, existing deficiencies and internal contradictions of these two well-established theories can be removed and a new generally applicable tool for the interpretation of phase formation processes can be developed. In the present analysis, a comparative analysis of the basic assumptions and predictions of the classical and the generalized Gibbs approaches is given. It is shown, in particular, that—interpreted in terms of the generalized Gibbs approach—the critical cluster as determined via the classical Gibbs approach corresponds not to a saddle but to a ridge point of the appropriate thermodynamic potential hypersurface. By this reason, the classical Gibbs approach (involving the classical capillarity approximation) overestimates as a rule the work of critical cluster formation in nucleation theory and, in general, considerably.

\\\\Expert2\\NBO\\Journal of Chemical Physics\\2006, v.124, p.194503.pdf
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9.
Инвентарный номер: нет.
   
   S 34

    Schmelzer, J. W. P.
    Comment on “Multicomponent nucleation: Thermodynamically consistent description of the nucleation work” / J. W. P. Schmelzer, V. G. Baidakov // Journal of Chemical Physics. - 2004. - Vol.121, №3. - С. 1644-1645
ББК 53
Рубрики: ФИЗИКА
Кл.слова (ненормированные):
THERMODYNAMICALLY CONSISTENT -- NUCLEATIONS -- CRITICAL CLUSTER
Аннотация: In the above cited paper, Kashchiev extends the “thermodynamically consistent” description of nucleation work to phase formation processes in multicomponent systems. It is claimed that this approach is generally applicable widely independent on the kind of phase transformation considered. In contrast to this statement, it is shown in our Comment that Kashchiev’s approach is theoretically not well founded. It contains, in addition, a number of assumptions, which are not generally fulfilled. Because of this his method cannot give, in general, a satisfactory determination of the work of critical cluster formation in nucleation theory. An experimental example is given verifying our

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10.
Инвентарный номер: нет.
   
   S 34

    Schmelzer, J. W. P.
    Comment on “Multicomponent nucleation: Thermodynamically consistent description of the nucleation work” / J. W. P. Schmelzer, V. G. Baidakov // Journal of Chemical Physics. - 2004. - Vol.121, №3. - С. 1644-1645
ББК 53
Рубрики: ФИЗИКА
Кл.слова (ненормированные):
THERMODYNAMICALLY CONSISTENT -- NUCLEATIONS -- CRITICAL CLUSTER
Аннотация: In the above cited paper, Kashchiev extends the “thermodynamically consistent” description of nucleation work to phase formation processes in multicomponent systems. It is claimed that this approach is generally applicable widely independent on the kind of phase transformation considered. In contrast to this statement, it is shown in our Comment that Kashchiev’s approach is theoretically not well founded. It contains, in addition, a number of assumptions, which are not generally fulfilled. Because of this his method cannot give, in general, a satisfactory determination of the work of critical cluster formation in nucleation theory. An experimental example is given verifying our

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