Fullerenes: formation, stability, and reactivity - Rodríguez‐Fortea
https://wires.onlinelibrary.wiley.com/doi/10.1002/wcms.21
WEBMar 10, 2011 · Abstract. Ab initio, density functional theory and semiempirical methods have been extensively used in the study of fullerenes since its discovery 25 years ago. Here, we review the most recent theoretical studies on formation mechanisms, stability, and reactivity of empty and endohedral fullerenes. We have focused on medium–large fullerenes ...
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