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Computational screening of metallofullerenes for nanoscience: Sr@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%3A12929" target="_blank" >RIV/00216208:11310/08:12929 - isvavai.cz</a>

  • Result on the web

  • DOI - Digital Object Identifier

Alternative languages

  • Result language

    angličtina

  • Original language name

    Computational screening of metallofullerenes for nanoscience: Sr@C-74

  • Original language description

    Density-functional theory calculations are presented for Sr@C-74 where C-74 is either the isolated pentagon rule (IPR) cage or two cages with a pentagon-pentagon junction. Their relative thermodynamic production yields are evaluated using the calculated

  • Czech name

    Pocitacovy screening metalofulerenu pro nanovedu: Sr@C-74

  • Czech description

    DFT vypocty Sr@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

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

    Molecular simulation

  • ISSN

    0892-7022

  • e-ISSN

  • Volume of the periodical

    34

  • Issue of the periodical within the volume

    1

  • Country of publishing house

    US - UNITED STATES

  • Number of pages

    5

  • Pages from-to

  • UT code for WoS article

    000254947800003

  • EID of the result in the Scopus database