[[abstract]]In accordance with the geometrical relationship between an icosahedron, a tetrahedron and a carbon cage cluser, a method is devised to assemble giant fullerenenes (between C100 and C400) of icosahedral and tetrahedral symmetries by using a triangular motif. The optimized structures and diameters of these giant fullerenes are generated. Their electronic structures are also determined by applying the EHT method. The closed-shell configurations of the giant fullerenes are deduced. The hyperfullerenes, C60, C240, and C540 with Ih symmetry, as well as C56, C188 and C392 with Td symmetry, are predicted on the basis of their electronic structures and cage diameters.[[notice]]補正完畢[[journaltype]]國外[[booktype]]紙本[[countrycodes]]CH
A convenient rectangular cartesian coordinate system is constructed for the regular icosahedron. Thi...
Fullerenes and their metal-encapsulating derivatives metallofullerenes were for the first time obser...
We present a molecular dynamics study of the energetics and structures of very large carbon cage clu...
[[abstract]]A method is devised to construct spherical giant fullerenes of icosahedral (C20, C60, C1...
[[abstract]]According to the experimental investigation, the carbon nano-particles have spherical mu...
We describe the existence and structure of large fullerenes in terms of symmetry breaking of the C60...
The icosahedral fullerenes form a subset of a larger set of carbon cages that might be called carbon...
The properties of the (n,n) icosahedral family of carbon fullerenes up to n = 10 (6000 atoms) have b...
Full geometry optimization has been performed within the semiempirical QCFF/PI model for the 1812 fu...
AbstractIt seems remarkable that though carbon has been studied exhaustively for decades a new highl...
The stuffed fullerene-like nano clusters based on the approximately spherical B-84, (B-12@B-12@B-60,...
Shapes and energies of icosahedral fullerenes are studied on an atomically detailed level. The nume...
A systematic search reveals five C78 fullerene cages with isolated pentagons, but only one with a cl...
AbstractA fullerene Fn is a 3-regular (or cubic) polyhedral carbon molecule for which the n vertices...
Ab initio SCF, density functional, and semiempirical methods have been used to study selected topics...
A convenient rectangular cartesian coordinate system is constructed for the regular icosahedron. Thi...
Fullerenes and their metal-encapsulating derivatives metallofullerenes were for the first time obser...
We present a molecular dynamics study of the energetics and structures of very large carbon cage clu...
[[abstract]]A method is devised to construct spherical giant fullerenes of icosahedral (C20, C60, C1...
[[abstract]]According to the experimental investigation, the carbon nano-particles have spherical mu...
We describe the existence and structure of large fullerenes in terms of symmetry breaking of the C60...
The icosahedral fullerenes form a subset of a larger set of carbon cages that might be called carbon...
The properties of the (n,n) icosahedral family of carbon fullerenes up to n = 10 (6000 atoms) have b...
Full geometry optimization has been performed within the semiempirical QCFF/PI model for the 1812 fu...
AbstractIt seems remarkable that though carbon has been studied exhaustively for decades a new highl...
The stuffed fullerene-like nano clusters based on the approximately spherical B-84, (B-12@B-12@B-60,...
Shapes and energies of icosahedral fullerenes are studied on an atomically detailed level. The nume...
A systematic search reveals five C78 fullerene cages with isolated pentagons, but only one with a cl...
AbstractA fullerene Fn is a 3-regular (or cubic) polyhedral carbon molecule for which the n vertices...
Ab initio SCF, density functional, and semiempirical methods have been used to study selected topics...
A convenient rectangular cartesian coordinate system is constructed for the regular icosahedron. Thi...
Fullerenes and their metal-encapsulating derivatives metallofullerenes were for the first time obser...
We present a molecular dynamics study of the energetics and structures of very large carbon cage clu...