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Description
  • DFT vypocty La@C74 (cs)
  • Density-functional theory calculations are presented for La@C-74, where C-74 is either the IPR (isolated pentagon rule) cage or two cages with a pentagon-pentagon junction. Their relative thermodynamic production yields are evaluated using the calculated
  • Density-functional theory calculations are presented for La@C-74, where C-74 is either the IPR (isolated pentagon rule) cage or two cages with a pentagon-pentagon junction. Their relative thermodynamic production yields are evaluated using the calculated (en)
Title
  • Computations on Three Isomers of La@C-74
  • Computations on Three Isomers of La@C-74 (en)
  • Vypocty tri izomeru La@C74 (cs)
skos:prefLabel
  • Computations on Three Isomers of La@C-74
  • Computations on Three Isomers of La@C-74 (en)
  • Vypocty tri izomeru La@C74 (cs)
skos:notation
  • RIV/00216208:11310/08:12924!RIV09-AV0-11310___
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  • P(1ET401110505)
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  • 14
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  • 360883
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  • RIV/00216208:11310/08:12924
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  • metallofullerenes; DFT computations; stability islands; optimized syntheses; Gibbs-energy evaluations; nanoscience; computed temperature development; sm-containing metallofullerenes; spectroscopic characterization; relative concentrations; endohedral metallofullerenes; circular motion; fullerenes; ca-at-c-74; stabilities; c-74 (en)
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  • US - Spojené státy americké
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  • [4A7F9C303A4C]
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  • International journal of quantum chemistry
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  • 108
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  • Uhlík, Filip
http://linked.open...ain/vavai/riv/wos
  • 000260125700003
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  • 0020-7608
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  • 11310
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