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Description
| - The paper reports computations for Al@C82, Sc@C82, Y@C82 and La@C82 based on encapsulation into the IPR (isolated pentagon rule) C2υ C82 cage and also on Mg@C74, Ca@C74, Sr@C74 and Ba@C74 based on encapsulation into the only C74 IPR cage. Their structural and energetic characteristics are used for evaluations of the relative production yields, employing the encapsulation Gibbs-energy terms and saturated metal pressures. It is shown that the results can be well related to the ionization potentials of the free metal atoms.
- The paper reports computations for Al@C82, Sc@C82, Y@C82 and La@C82 based on encapsulation into the IPR (isolated pentagon rule) C2υ C82 cage and also on Mg@C74, Ca@C74, Sr@C74 and Ba@C74 based on encapsulation into the only C74 IPR cage. Their structural and energetic characteristics are used for evaluations of the relative production yields, employing the encapsulation Gibbs-energy terms and saturated metal pressures. It is shown that the results can be well related to the ionization potentials of the free metal atoms. (en)
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Title
| - Metallofullerene Series: Free-Metal Ionization-Potential Control of the Production Yields
- Metallofullerene Series: Free-Metal Ionization-Potential Control of the Production Yields (en)
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skos:prefLabel
| - Metallofullerene Series: Free-Metal Ionization-Potential Control of the Production Yields
- Metallofullerene Series: Free-Metal Ionization-Potential Control of the Production Yields (en)
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skos:notation
| - RIV/00216208:11310/11:10079149!RIV12-GA0-11310___
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http://linked.open...avai/predkladatel
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http://linked.open...avai/riv/aktivita
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http://linked.open...avai/riv/aktivity
| - 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/00216208:11310/11:10079149
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http://linked.open...riv/jazykVysledku
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http://linked.open.../riv/klicovaSlova
| - metallofullerene stabilities; ionization potentials; molecular electronic structure; molecular modeling; carbon-based nanotechnology; Endohedral fullerenes (en)
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http://linked.open.../riv/klicoveSlovo
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http://linked.open...odStatuVydavatele
| - US - Spojené státy americké
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http://linked.open...ontrolniKodProRIV
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http://linked.open...i/riv/nazevZdroje
| - The Open Chemical Physics Journal
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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
| - Lee, Shyi-Long
- Nagase, Shigeru
- Slanina, Zdeněk
- Uhlík, Filip
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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://localhost/t...ganizacniJednotka
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is http://linked.open...avai/riv/vysledek
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