Computed Stabilities in Metallofullerene Series: Al@C-82, Sc@C-82, Y@C-82, and La@C-82

Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F00216208%3A11310%2F11%3A10089827" target="_blank" >RIV/00216208:11310/11:10089827 - isvavai.cz</a>
Result on the web
<a href="http://dx.doi.org/10.1002/qua.22808" target="_blank" >http://dx.doi.org/10.1002/qua.22808</a>
DOI - Digital Object Identifier
<a href="http://dx.doi.org/10.1002/qua.22808" target="_blank" >10.1002/qua.22808</a>

Result language
angličtina
Original language name
Computed Stabilities in Metallofullerene Series: Al@C-82, Sc@C-82, Y@C-82, and La@C-82
Original language description
This article reports computations for Al@C82, Sc@C82, Y@C82, and La@C82 based on encapsulation into the IPR (isolated pentagon rule) C2v C82 cage. Their structural and bonding features are also used for evaluations of the relative production yields, employing the encapsulation Gibbs-energy terms and saturated metal pressures. The results can be well related to the ionization potentials of the free metal atoms and thus also rationalized.
Czech name
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Czech description
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Type
J<sub>x</sub> - Unclassified - Peer-reviewed scientific article (Jimp, Jsc and Jost)
CEP classification
CF - Physical chemistry and theoretical chemistry
OECD FORD branch
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Project
<a href="/en/project/GAP208%2F10%2F0179" target="_blank" >GAP208/10/0179: Computational studies of nanomaterials based on fullerenes</a><br>
Continuities
P - Projekt vyzkumu a vyvoje financovany z verejnych zdroju (s odkazem do CEP)<br>Z - Vyzkumny zamer (s odkazem do CEZ)

Publication year
2011
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

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