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  • Li@C-60 and Li@C-70 can be prepared and thus, their calculations at higher levels of theory are also of interest. In the report, the computations are carried out on Li@C-60, Li-2@C-60 and Li-3@C-60 with the B3LYP density-functional theory treatment in th
  • Li@C-60 and Li@C-70 can be prepared and thus, their calculations at higher levels of theory are also of interest. In the report, the computations are carried out on Li@C-60, Li-2@C-60 and Li-3@C-60 with the B3LYP density-functional theory treatment in th (en)
  • Vypocty Li_x@C60 (cs)
Title
  • Li-x@C-60: Calculations of the encapsulation energetics and thermodynamics
  • Li-x@C-60: vypocty enkapsulacnich energii a termodynamiky (cs)
  • Li-x@C-60: Calculations of the encapsulation energetics and thermodynamics (en)
skos:prefLabel
  • Li-x@C-60: Calculations of the encapsulation energetics and thermodynamics
  • Li-x@C-60: vypocty enkapsulacnich energii a termodynamiky (cs)
  • Li-x@C-60: Calculations of the encapsulation energetics and thermodynamics (en)
skos:notation
  • RIV/00216208:11310/08:12925!RIV09-AV0-11310___
http://linked.open...avai/riv/aktivita
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  • P(1ET401110505)
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  • 9
http://linked.open...vai/riv/dodaniDat
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http://linked.open...dnocenehoVysledku
  • 376989
http://linked.open...ai/riv/idVysledku
  • RIV/00216208:11310/08:12925
http://linked.open...riv/jazykVysledku
http://linked.open.../riv/klicovaSlova
  • endohedral fullerenes; calculated energetics and thermodynamics; structure and bonding; metallofullerene stabilities; computational optimization of syntheses; endohedral fullerenes; electron-density; li-at-c-60; metallofullerenes; spectroscopy; ca-at-c-74; complexes; clusters; motion; atoms (en)
http://linked.open.../riv/klicoveSlovo
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  • US - Spojené státy americké
http://linked.open...ontrolniKodProRIV
  • [A732989FC6D7]
http://linked.open...i/riv/nazevZdroje
  • International journal of molecular sciences
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
  • 9
http://linked.open...iv/tvurceVysledku
  • Uhlík, Filip
http://linked.open...ain/vavai/riv/wos
  • 000259736000014
issn
  • 1422-0067
number of pages
http://localhost/t...ganizacniJednotka
  • 11310
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