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Description
| - Density-functional theory calculations are presented for low-energy La@C72, La@C74 and La@C76 isomers with IPR (isolated pentagon rule) and non-IPR cages. The relative isomeric production yields at high temperatures are evaluated using the calculated terms, and the relationships to observations are discussed.
- Density-functional theory calculations are presented for low-energy La@C72, La@C74 and La@C76 isomers with IPR (isolated pentagon rule) and non-IPR cages. The relative isomeric production yields at high temperatures are evaluated using the calculated terms, and the relationships to observations are discussed. (en)
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Title
| - Stability Computations for Isomers of La@Cn (n = 72, 74, 76)
- Stability Computations for Isomers of La@Cn (n = 72, 74, 76) (en)
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skos:prefLabel
| - Stability Computations for Isomers of La@Cn (n = 72, 74, 76)
- Stability Computations for Isomers of La@Cn (n = 72, 74, 76) (en)
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skos:notation
| - RIV/00216208:11310/12:10124309!RIV13-GA0-11310___
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http://linked.open...avai/riv/aktivita
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http://linked.open...avai/riv/aktivity
| - I, P(GAP208/10/0179), Z(MSM0021620857)
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http://linked.open...iv/cisloPeriodika
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http://linked.open...vai/riv/dodaniDat
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http://linked.open...aciTvurceVysledku
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http://linked.open.../riv/druhVysledku
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http://linked.open...iv/duvernostUdaju
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http://linked.open...titaPredkladatele
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http://linked.open...dnocenehoVysledku
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http://linked.open...ai/riv/idVysledku
| - RIV/00216208:11310/12:10124309
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http://linked.open...riv/jazykVysledku
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http://linked.open.../riv/klicovaSlova
| - IPR and non-IPR fullerene cages; Gibbs-energy evaluations; isomeric stabilities; DFT computations; metallofullerenes (en)
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http://linked.open.../riv/klicoveSlovo
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http://linked.open...odStatuVydavatele
| - CH - Švýcarská konfederace
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http://linked.open...ontrolniKodProRIV
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http://linked.open...i/riv/nazevZdroje
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http://linked.open...in/vavai/riv/obor
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http://linked.open...ichTvurcuVysledku
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http://linked.open...cetTvurcuVysledku
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http://linked.open...vavai/riv/projekt
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http://linked.open...UplatneniVysledku
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http://linked.open...v/svazekPeriodika
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http://linked.open...iv/tvurceVysledku
| - Akasaka, Takeshi
- Adamowicz, Ludwik
- Lee, Shyi-Long
- Nagase, Shigeru
- Slanina, Zdeněk
- Uhlík, Filip
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http://linked.open...ain/vavai/riv/wos
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http://linked.open...n/vavai/riv/zamer
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issn
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number of pages
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http://bibframe.org/vocab/doi
| - 10.3390/molecules171113146
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http://localhost/t...ganizacniJednotka
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