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Description
  • DFT vypocty Sr@C-74 (cs)
  • Density-functional theory calculations are presented for Sr@C-74 where C-74 is either the isolated pentagon rule (IPR) 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 Sr@C-74 where C-74 is either the isolated pentagon rule (IPR) cage or two cages with a pentagon-pentagon junction. Their relative thermodynamic production yields are evaluated using the calculated (en)
Title
  • Computational screening of metallofullerenes for nanoscience: Sr@C-74
  • Pocitacovy screening metalofulerenu pro nanovedu: Sr@C-74 (cs)
  • Computational screening of metallofullerenes for nanoscience: Sr@C-74 (en)
skos:prefLabel
  • Computational screening of metallofullerenes for nanoscience: Sr@C-74
  • Pocitacovy screening metalofulerenu pro nanovedu: Sr@C-74 (cs)
  • Computational screening of metallofullerenes for nanoscience: Sr@C-74 (en)
skos:notation
  • RIV/00216208:11310/08:12929!RIV09-AV0-11310___
http://linked.open...avai/riv/aktivita
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  • P(1ET401110505)
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  • 1
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  • 360877
http://linked.open...ai/riv/idVysledku
  • RIV/00216208:11310/08:12929
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  • metallofullerenes; stability islands; optimized syntheses; Gibbs-energy evaluations; saturated metal vapors; carbon-based nanotechnology; computed temperature development; sm-containing metallofullerenes; spectroscopic characterization; relative concentrations; endohedral metallofullerenes; circular motion; fullerenes; ca-at-c-74; isomers; la-at-c-82 (en)
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http://linked.open...odStatuVydavatele
  • US - Spojené státy americké
http://linked.open...ontrolniKodProRIV
  • [342C4B7F6D0E]
http://linked.open...i/riv/nazevZdroje
  • Molecular simulation
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http://linked.open...UplatneniVysledku
http://linked.open...v/svazekPeriodika
  • 34
http://linked.open...iv/tvurceVysledku
  • Uhlík, Filip
http://linked.open...ain/vavai/riv/wos
  • 000254947800003
issn
  • 0892-7022
number of pages
http://localhost/t...ganizacniJednotka
  • 11310
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