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Calculations of the Lu3N@C80 two-isomer equilibrium

Authors :
Ludwik Adamowicz
Filip Uhlík
Takeshi Akasaka
Lai Feng
Zdeněk Slanina
Xing Lu
Source :
Fullerenes, Nanotubes and Carbon Nanostructures. 27:382-386
Publication Year :
2019
Publisher :
Informa UK Limited, 2019.

Abstract

Computations of the relative concentrations are reported for the two isomers of Lu3N@C80 experimentally known, i.e., produced by encapsulation into the isolated-pentagon-rule (IPR) C80 cages with I...

Subjects

Subjects :
Materials science
Computational chemistry
Organic Chemistry
General Materials Science
02 engineering and technology
Physical and Theoretical Chemistry
010402 general chemistry
021001 nanoscience & nanotechnology
0210 nano-technology
01 natural sciences
Atomic and Molecular Physics, and Optics
0104 chemical sciences
Encapsulation (networking)

Details

ISSN :
15364046 and 1536383X
Volume :
27
Database :
OpenAIRE
Journal :
Fullerenes, Nanotubes and Carbon Nanostructures
Accession number :
edsair.doi...........a19c1d9cf57eee4a8aef19d990aed1ef

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