Computational treatment of alkaline earth encapsulations in C-74: Relative thermodynamic production abundances
The result's identifiers
Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F00216208%3A11310%2F08%3A12927" target="_blank" >RIV/00216208:11310/08:12927 - 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
Computational treatment of alkaline earth encapsulations in C-74: Relative thermodynamic production abundances
Original language description
Density-functional theory calculations are presented for Be@C-74, Mg@C-74, Ca@C-74, Sr@C-74 and Ba@C-74 where C-74 is the IPR (isolated pentagon rule) cage. Their relative thermodynamic production yields at selected temperatures are evaluated using the c
Czech name
Vypocty enkapsulace kovu alkalickych zemin v C-74: relativni termodynamicke vytezky
Czech description
DFT vypocty Be@C-74, Mg@C-74, Ca@C-74, Sr@C-74 and Ba@C-74
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
Fullerenes nanotubes and carbon nanostructures
ISSN
1536-383X
e-ISSN
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Volume of the periodical
16
Issue of the periodical within the volume
5.6.2008
Country of publishing house
US - UNITED STATES
Number of pages
10
Pages from-to
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UT code for WoS article
000259645200035
EID of the result in the Scopus database
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