caa a22 4500 605512558 CHVBK 20210128100656.0 cr unu---uuuuu 210128e20150401xx s 000 0 eng 10.1007/s00894-015-2646-9 doi (NATIONALLICENCE)springer-10.1007/s00894-015-2646-9 Symmetric nested complexes of fullerenes [Elektronische Daten] [Naveicy Mar, Luis Sansores, Stephen Muhl, Estrella Ramos, Roberto Salcedo] Large fullerenes such as C180 and C116 can be used as hosts for other molecules of the same family. Based on this idea, two complexes were designed, one in which C180 accepts a C60 molecule as a guest and the other in which C20 was placed inside C116. The behavior of these new assemblies was closer to that of a large endohedral complex rather than onion-like. There were marked differences between the systems. In the first system, there was minor interaction between the two cages but the association resulted in a more stable thermodynamic state. In the second system, there was strong electronic interchange between the cages, and the thermodynamic results suggest that such a combination might be useful for forming stable C20. Springer-Verlag Berlin Heidelberg, 2015 Nested fullerenes nationallicence Endohedral fullerenes nationallicence Onions nationallicence Electronic interchange nationallicence Mar Naveicy Instituto de Investigaciones en Materiales, Universidad Nacional Autónoma de México, Avenida Universidad 3000, 04510, Mexico, D.F., Mexico aut Sansores Luis Instituto de Investigaciones en Materiales, Universidad Nacional Autónoma de México, Avenida Universidad 3000, 04510, Mexico, D.F., Mexico aut Muhl Stephen Instituto de Investigaciones en Materiales, Universidad Nacional Autónoma de México, Avenida Universidad 3000, 04510, Mexico, D.F., Mexico aut Ramos Estrella Instituto de Investigaciones en Materiales, Universidad Nacional Autónoma de México, Avenida Universidad 3000, 04510, Mexico, D.F., Mexico aut Salcedo Roberto Instituto de Investigaciones en Materiales, Universidad Nacional Autónoma de México, Avenida Universidad 3000, 04510, Mexico, D.F., Mexico aut Journal of Molecular Modeling Springer Berlin Heidelberg 21/4(2015-04-01), 1-7 1610-2940 21:4<1 2015 21 894 https://doi.org/10.1007/s00894-015-2646-9 text/html Onlinezugriff via DOI BK010053 XK010053 XK010000 Metadata rights reserved Springer special CC-BY-NC licence nationallicence 1 research-article jats NATIONALLICENCE NATIONALLICENCE NL-springer NATIONALLICENCE 856 40 https://doi.org/10.1007/s00894-015-2646-9 text/html Onlinezugriff via DOI NATIONALLICENCE 700 1- Mar Naveicy Instituto de Investigaciones en Materiales, Universidad Nacional Autónoma de México, Avenida Universidad 3000, 04510, Mexico, D.F., Mexico aut NATIONALLICENCE 700 1- Sansores Luis Instituto de Investigaciones en Materiales, Universidad Nacional Autónoma de México, Avenida Universidad 3000, 04510, Mexico, D.F., Mexico aut NATIONALLICENCE 700 1- Muhl Stephen Instituto de Investigaciones en Materiales, Universidad Nacional Autónoma de México, Avenida Universidad 3000, 04510, Mexico, D.F., Mexico aut NATIONALLICENCE 700 1- Ramos Estrella Instituto de Investigaciones en Materiales, Universidad Nacional Autónoma de México, Avenida Universidad 3000, 04510, Mexico, D.F., Mexico aut NATIONALLICENCE 700 1- Salcedo Roberto Instituto de Investigaciones en Materiales, Universidad Nacional Autónoma de México, Avenida Universidad 3000, 04510, Mexico, D.F., Mexico aut NATIONALLICENCE 773 0- Journal of Molecular Modeling Springer Berlin Heidelberg 21/4(2015-04-01), 1-7 1610-2940 21:4<1 2015 21 894