title: Large fullerenes stabilized by encapsulation of metallic clusters.
abstract: Structures are proposed for six endohedral metallofullerenes with large carbon cages (from C(92) to C(100)) on the basis of sizeable (LUMO-4)-(LUMO-3) gap and the formal transfer of six electrons to the cages.
authors.affiliation: Departament de Química Física i Inorgànica, Universitat Rovira i Virgili, 43007 Tarragona, Spain.
authors.forename: Ramón
authors.initials: R
authors.lastname: Valencia
authors.forename: Antonio
authors.initials: A
authors.lastname: Rodríguez-Fortea
authors.forename: Josep M
authors.initials: JM
authors.lastname: Poblet
mesh_terms: D037741:Fullerenes / Q000737:chemistry*; D007536:Isomerism; D008670:Metals / Q000737:chemistry*; D008958:Models, Molecular; D008968:Molecular Conformation
chemical_list: D037741:Fullerenes; D008670:Metals