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Calculations of the relative populations of Lu@C82 isomers
- Source :
- Fullerenes, Nanotubes and Carbon Nanostructures. 27:710-714
- Publication Year :
- 2019
- Publisher :
- Informa UK Limited, 2019.
-
Abstract
- Relative populations of five IPR (isolated-pentagon-rule) isomers of Lu@C82 are computed using the Gibbs energy based on characteristics from density functional theory calculations (B3LYP/6...
- Subjects :
- Physics
Organic Chemistry
Thermodynamics
02 engineering and technology
010402 general chemistry
021001 nanoscience & nanotechnology
01 natural sciences
Atomic and Molecular Physics, and Optics
0104 chemical sciences
Gibbs free energy
symbols.namesake
Physics::Atomic and Molecular Clusters
symbols
General Materials Science
Density functional theory
Physics::Chemical Physics
Physical and Theoretical Chemistry
0210 nano-technology
Subjects
Details
- ISSN :
- 15364046 and 1536383X
- Volume :
- 27
- Database :
- OpenAIRE
- Journal :
- Fullerenes, Nanotubes and Carbon Nanostructures
- Accession number :
- edsair.doi...........f030acbd961ef1719ba9acad1ae1f26b
- Full Text :
- https://doi.org/10.1080/1536383x.2019.1633523