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  • The triatomics-in-molecules (TRIM) method for calculating potential energy surfaces (PES) is discussed. The method is a modification of Ellison's diatomics-in-molecules (DIM) approach (F.O.ELLISON, F.O.J. Am.Chem. Soc. 1963. vol. 85 p.3540) and consists in expanding the electronic hamiltonian of a polyatomic system into terms corresponding to the tree - and monoatomic fragments. Application of the general theory to a special case of the He+n clusters is presented.
  • The triatomics-in-molecules (TRIM) method for calculating potential energy surfaces (PES) is discussed. The method is a modification of Ellison's diatomics-in-molecules (DIM) approach (F.O.ELLISON, F.O.J. Am.Chem. Soc. 1963. vol. 85 p.3540) and consists in expanding the electronic hamiltonian of a polyatomic system into terms corresponding to the tree - and monoatomic fragments. Application of the general theory to a special case of the He+n clusters is presented. (en)
Title
  • Triatomics-in-molecules method applied to helium cluster cations
  • Triatomics-in-molecules method applied to helium cluster cations (en)
  • Triatomics-in-molecules method applied to helium cluster cations (cs)
skos:prefLabel
  • Triatomics-in-molecules method applied to helium cluster cations
  • Triatomics-in-molecules method applied to helium cluster cations (en)
  • Triatomics-in-molecules method applied to helium cluster cations (cs)
skos:notation
  • RIV/61988987:17310/01:00000010!RIV/2002/MSM/173102/N
http://linked.open.../vavai/riv/strany
  • 31
http://linked.open...avai/riv/aktivita
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  • Z(MSM 173100003)
http://linked.open...vai/riv/dodaniDat
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  • 699197
http://linked.open...ai/riv/idVysledku
  • RIV/61988987:17310/01:00000010
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  • diatomics-in-molecule;triatomics-in-molecules;helium; cluster cation (en)
http://linked.open.../riv/klicoveSlovo
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  • [677B28A22921]
http://linked.open...v/mistoKonaniAkce
  • Ostravská univerzita v Ostravě
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  • Ostravská univerzita v Ostravě
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  • Universitas Ostraviensis Acta Facultatis Rerum Naturalium, Physica-chemia
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http://linked.open...UplatneniVysledku
http://linked.open...iv/tvurceVysledku
  • Kalus, René
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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  • Ostravská univerzita v Ostravě
http://localhost/t...ganizacniJednotka
  • 17310
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