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Statements

Subject Item
n2:RIV%2F00216208%3A11310%2F11%3A10079149%21RIV12-GA0-11310___
rdf:type
n3:Vysledek skos:Concept
dcterms: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.
dcterms:title
Metallofullerene Series: Free-Metal Ionization-Potential Control of the Production Yields Metallofullerene Series: Free-Metal Ionization-Potential Control of the Production Yields
skos:prefLabel
Metallofullerene Series: Free-Metal Ionization-Potential Control of the Production Yields Metallofullerene Series: Free-Metal Ionization-Potential Control of the Production Yields
skos:notation
RIV/00216208:11310/11:10079149!RIV12-GA0-11310___
n3:predkladatel
n18:orjk%3A11310
n4:aktivita
n8:P n8:Z
n4:aktivity
P(GAP208/10/0179), Z(MSM0021620857)
n4:cisloPeriodika
January
n4:dodaniDat
n16:2012
n4:domaciTvurceVysledku
n9:3305406
n4:druhVysledku
n10:J
n4:duvernostUdaju
n17:S
n4:entitaPredkladatele
n6:predkladatel
n4:idSjednocenehoVysledku
211712
n4:idVysledku
RIV/00216208:11310/11:10079149
n4:jazykVysledku
n5:eng
n4:klicovaSlova
metallofullerene stabilities; ionization potentials; molecular electronic structure; molecular modeling; carbon-based nanotechnology; Endohedral fullerenes
n4:klicoveSlovo
n11:Endohedral%20fullerenes n11:ionization%20potentials n11:metallofullerene%20stabilities n11:carbon-based%20nanotechnology n11:molecular%20electronic%20structure n11:molecular%20modeling
n4:kodStatuVydavatele
US - Spojené státy americké
n4:kontrolniKodProRIV
[CE9DDFBB118B]
n4:nazevZdroje
The Open Chemical Physics Journal
n4:obor
n13:CF
n4:pocetDomacichTvurcuVysledku
1
n4:pocetTvurcuVysledku
4
n4:projekt
n20:GAP208%2F10%2F0179
n4:rokUplatneniVysledku
n16:2011
n4:svazekPeriodika
3
n4:tvurceVysledku
Nagase, Shigeru Slanina, Zdeněk Lee, Shyi-Long Uhlík, Filip
n4:zamer
n19:MSM0021620857
s:issn
1874-4125
s:numberOfPages
6
n15:organizacniJednotka
11310