Stability Computations for Isomers of La@Cn (n = 72, 74, 76)

Result code in IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F00216208%3A11310%2F12%3A10124309" target="_blank" >RIV/00216208:11310/12:10124309 - isvavai.cz</a>

Result on the web

<a href="http://dx.doi.org/10.3390/molecules171113146" target="_blank" >http://dx.doi.org/10.3390/molecules171113146</a>

DOI - Digital Object Identifier

<a href="http://dx.doi.org/10.3390/molecules171113146" target="_blank" >10.3390/molecules171113146</a>

Result language

angličtina

Original language name

Stability Computations for Isomers of La@Cn (n = 72, 74, 76)

Original language description

Density-functional theory calculations are presented for low-energy La@C72, La@C74 and La@C76 isomers with IPR (isolated pentagon rule) and non-IPR cages. The relative isomeric production yields at high temperatures are evaluated using the calculated terms, and the relationships to observations are discussed.

Czech name

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Czech description

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Type

J_x - 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)<br>I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace

Publication year

2012

Confidentiality

S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

Name of the periodical

Molecules

ISSN

1420-3049

e-ISSN

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Volume of the periodical

17

Issue of the periodical within the volume

11

Country of publishing house

CH - SWITZERLAND

Number of pages

11

Pages from-to

13146-13156

UT code for WoS article

000311428400051

EID of the result in the Scopus database

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