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  • The semiempirical diatomics-in-molecule (DIM) methods and the most recent ab initio diatomic curves for argon and xenon dimer cations has been used in theoretical studies of the Rg+n clusters (Rg= Ar and Xe; n=3-20). The main attention has been paid to the stability and structure, intramolecular transitions, and photoabsorption spectra of the argon and xenon clusters cations. As a prologue of the full dynamical studies planned for the future, additional calculations have been performed on dynamics of positive charge hole within the clusters at fixed geometries.
  • The semiempirical diatomics-in-molecule (DIM) methods and the most recent ab initio diatomic curves for argon and xenon dimer cations has been used in theoretical studies of the Rg+n clusters (Rg= Ar and Xe; n=3-20). The main attention has been paid to the stability and structure, intramolecular transitions, and photoabsorption spectra of the argon and xenon clusters cations. As a prologue of the full dynamical studies planned for the future, additional calculations have been performed on dynamics of positive charge hole within the clusters at fixed geometries. (en)
Title
  • Semiempirical calculations of singly ionized small and medium-size rare-gas clusters
  • Semiempirical calculations of singly ionized small and medium-size rare-gas clusters (en)
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  • Semiempirical calculations of singly ionized small and medium-size rare-gas clusters
  • Semiempirical calculations of singly ionized small and medium-size rare-gas clusters (en)
skos:notation
  • RIV/61988987:17310/01:00000011!RIV/2002/MSM/173102/N
http://linked.open.../vavai/riv/strany
  • 295
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  • Z(MSM 173100003)
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  • 695478
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  • RIV/61988987:17310/01:00000011
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  • diatomic-in-molecule; clusters; (en)
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  • [C5097C8F6F3A]
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  • Banská Bystrica
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  • Zborník príspevkov Banská Bystrica
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  • Kalus, René
  • Hrivňák, Daniel
  • Paška, Petr
http://linked.open...vavai/riv/typAkce
http://linked.open.../riv/zahajeniAkce
http://linked.open...n/vavai/riv/zamer
number of pages
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  • Univerzita Mateja Bela v Banskej Bystrici
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  • 80-89029-23-X
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  • 17310
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