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Computational Termochemistry Study of the C(80) Isomers and Their Endo Lanthanum Complexes by Applying Homodesmotic and Isodesmic Reactions
C(80) is a fullerene species which appears in different isomeric configurations. A general homodesmotic reaction previously designed to study the energy of fullerenes was implemented, in order to analyze the energy of this family of isomers. These results concur with some of the experimental data, b...
| Autores principales: | , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
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MDPI
2012
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6268783/ https://www.ncbi.nlm.nih.gov/pubmed/23222905 http://dx.doi.org/10.3390/molecules171214588 |