About: Modelling of Kr+n clusters (n=2-20). I. Structures and energetics     Goto   Sponge   NotDistinct   Permalink

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Description
  • Přesné křivky potenciální energie jsou vypočteny pro ionizovaný dimer kryptonu v rámci metody coupled cluster (RHF-RCCSD-T), relativistický efektivní core pseudopotenciál a rozšířená báze. Spin-orbitální vazba je vložena na základě semiempirického přístu (cs)
  • Accurate potential energy curves are calculated for the ionic krypton dimer using a coupled cluster approach (RHF-RCCSD-T), relativistic effective core pseudopotential and an extended basis set. The spin-orbit coupling is included through a semi-empirica
  • Accurate potential energy curves are calculated for the ionic krypton dimer using a coupled cluster approach (RHF-RCCSD-T), relativistic effective core pseudopotential and an extended basis set. The spin-orbit coupling is included through a semi-empirica (en)
Title
  • Modelling of Kr+n clusters (n=2-20). I. Structures and energetics
  • Modelling of Kr+n clusters (n=2-20). I. Structures and energetics (en)
  • Modelování klastrů Krn+. I Struktury a energie. (cs)
skos:prefLabel
  • Modelling of Kr+n clusters (n=2-20). I. Structures and energetics
  • Modelling of Kr+n clusters (n=2-20). I. Structures and energetics (en)
  • Modelování klastrů Krn+. I Struktury a energie. (cs)
skos:notation
  • RIV/61988987:17310/03:00000109!RIV/2005/GA0/173105/N
http://linked.open.../vavai/riv/strany
  • 141-153
http://linked.open...avai/riv/aktivita
http://linked.open...avai/riv/aktivity
  • P(GA203/00/1025), P(GA203/01/1274), P(GA203/02/1204), Z(AV0Z4040901), Z(MSM 173100003)
http://linked.open...iv/cisloPeriodika
  • 0
http://linked.open...vai/riv/dodaniDat
http://linked.open...aciTvurceVysledku
http://linked.open.../riv/druhVysledku
http://linked.open...iv/duvernostUdaju
http://linked.open...titaPredkladatele
http://linked.open...dnocenehoVysledku
  • 615920
http://linked.open...ai/riv/idVysledku
  • RIV/61988987:17310/03:00000109
http://linked.open...riv/jazykVysledku
http://linked.open.../riv/klicovaSlova
  • Cluster modelling;Rare-gas ions;Ab initio potential;Cluster structure;Evaporation energy;Kr+n (en)
http://linked.open.../riv/klicoveSlovo
http://linked.open...odStatuVydavatele
  • NL - Nizozemsko
http://linked.open...ontrolniKodProRIV
  • [6931D91A4E7D]
http://linked.open...i/riv/nazevZdroje
  • Chemical Physics
http://linked.open...in/vavai/riv/obor
http://linked.open...ichTvurcuVysledku
http://linked.open...cetTvurcuVysledku
http://linked.open...vavai/riv/projekt
http://linked.open...UplatneniVysledku
http://linked.open...v/svazekPeriodika
  • 294
http://linked.open...iv/tvurceVysledku
  • Kalus, René
  • Paidarová, I.
  • Hrivňák, Daniel
  • Gadéa, F. X.
  • Paška, Petr
http://linked.open...n/vavai/riv/zamer
issn
  • 0301-0104
number of pages
http://localhost/t...ganizacniJednotka
  • 17310
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