TY - JOUR AU - Mojica, Martha AU - Méndez, Francisco AU - Alonso Martín, Julio Alfonso PY - 2013 SN - 1420-3049 UR - https://uvadoc.uva.es/handle/10324/57247 AB - Density Functional Theory has been used to model the Diels-Alder reactions of the fullerene fragments triindenetriphenilene and pentacyclopentacorannulene with ethylene and 1,3-butadiene. The purpose is to prove the feasibility of using Diels-Alder... LA - eng PB - MDPI KW - Diels-Alder cycloaddition KW - Fullerene fragments KW - Transition states KW - Triindenetriphenilene KW - Pentacyclopentacorannulene TI - Growth of fullerene fragments using the diels-alder cycloaddition reaction: first step towards a C60 synthesis by dimerization DO - 10.3390/molecules18022243 ER -