Computations on Three Isomers of La@C-74
The result's identifiers
Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F00216208%3A11310%2F08%3A12924" target="_blank" >RIV/00216208:11310/08:12924 - isvavai.cz</a>
Result on the web
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DOI - Digital Object Identifier
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Alternative languages
Result language
angličtina
Original language name
Computations on Three Isomers of La@C-74
Original language description
Density-functional theory calculations are presented for La@C-74, where C-74 is either the IPR (isolated pentagon rule) cage or two cages with a pentagon-pentagon junction. Their relative thermodynamic production yields are evaluated using the calculated
Czech name
Vypocty tri izomeru La@C74
Czech description
DFT vypocty La@C74
Classification
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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Result continuities
Project
<a href="/en/project/1ET401110505" target="_blank" >1ET401110505: Fullerenes and nanotubes as building blocks for nanotechnology</a><br>
Continuities
P - Projekt vyzkumu a vyvoje financovany z verejnych zdroju (s odkazem do CEP)
Others
Publication year
2008
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů
Data specific for result type
Name of the periodical
International journal of quantum chemistry
ISSN
0020-7608
e-ISSN
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Volume of the periodical
108
Issue of the periodical within the volume
14
Country of publishing house
US - UNITED STATES
Number of pages
5
Pages from-to
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UT code for WoS article
000260125700003
EID of the result in the Scopus database
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