Computational termochemistry study of the C₈₀ isomers and their endo lanthanum complexes by applying homodesmotic and isodesmic reactions.


C₈₀ 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, but energy differences referring to all the configurations… (More)
DOI: 10.3390/molecules171214588


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