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Encoding fullerenes and geodesic domes
 SIAM. J. Discrete Math
, 2004
"... Abstract. Coxeter’s classification of the highly symmetric geodesic domes (and, by duality, the highly symmetric fullerenes) is extended to a classification scheme for all geodesic domes and fullerenes. Each geodesic dome is characterized by its signature: a plane graph on twelve vertices with label ..."
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Abstract. Coxeter’s classification of the highly symmetric geodesic domes (and, by duality, the highly symmetric fullerenes) is extended to a classification scheme for all geodesic domes and fullerenes. Each geodesic dome is characterized by its signature: a plane graph on twelve vertices with labeled angles and edges. In the case of the Coxeter geodesic domes, the plane graph is the icosahedron, all angles are labeled one, and all edges are labeled by the same pair of integers (p, q). Edges with these “Coxeter coordinates ” correspond to straight line segments joining two vertices of Λ, the regular triangular tessellation of the plane, and the faces of the icosahedron are filled in with equilateral triangles from Λ whose sides have coordinates (p, q). We describe the construction of the signature for any geodesic dome. In turn, we describe how each geodesic dome may be reconstructed from its signature: the angle and edge labels around each face of the signature identify that face with a polygonal region of Λ and, when the faces are filled by the corresponding regions, the geodesic dome is reconstituted. The signature of a fullerene is the signature of its dual. For each fullerene, the separation of its pentagons, the numbers of its vertices, faces, and edges, and its symmetry structure are easily computed directly from its signature. Also, it is easy to identify nanotubes by their signatures.
Fullerenes as tilings of surfaces
 J. Chem. Inf. Comput. Sci
"... If a fullerene is defined as a finite trivalent graph made up solely of pentagons and hexagons, embedding in only four surfaces is possible: the sphere, torus, Klein bottle, and projective (elliptic) plane. The usual spherical fullerenes have 12 pentagons; elliptic fullerenes, 6; and toroidal and Kl ..."
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Cited by 5 (1 self)
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If a fullerene is defined as a finite trivalent graph made up solely of pentagons and hexagons, embedding in only four surfaces is possible: the sphere, torus, Klein bottle, and projective (elliptic) plane. The usual spherical fullerenes have 12 pentagons; elliptic fullerenes, 6; and toroidal and Kleinbottle fullerenes, none. Kleinbottle and elliptic fullerenes are the antipodal quotients of centrosymmetric toroidal and spherical fullerenes, respectively. Extensions to infinite systems (plane fullerenes, cylindrical fullerenes, and space fullerenes) are indicated. Eigenvalue spectra of all four classes of finite fullerenes, are reviewed. Leapfrog fullerenes have equal numbers of positive and negative eigenvalues, with 0, 0, 2, or 4 eigenvalues zero for spherical, elliptic, Kleinbottle, and toroidal cases, respectively.
Zigzag structure of simple twofaced polyhedra
 Combinatorics, Probability & Computing 14
, 2005
"... A zigzag in a plane graph is a circuit of edges, such that any two, but no three, consecutive edges belong to the same face. A railroad in a plane graph is a circuit of hexagonal faces, such that any hexagon is adjacent to its neighbors on opposite edges. A graph without a railroad is called tight. ..."
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Cited by 4 (2 self)
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A zigzag in a plane graph is a circuit of edges, such that any two, but no three, consecutive edges belong to the same face. A railroad in a plane graph is a circuit of hexagonal faces, such that any hexagon is adjacent to its neighbors on opposite edges. A graph without a railroad is called tight. We consider the zigzag and railroad structures of general 3valent plane graph and, especially, of simple twofaced polyhedra, i.e., 3valent 3polytopes with only agonal and bgonal faces, where 3 ≤ a < b ≤ 6; the main cases are (a,b) = (3,6), (4,6) and (5,6) (the fullerenes). We completely describe the zigzag structure for the case (a,b)=(3,6). For the case (a,b)=(4,6) we describe symmetry groups, classify all tight graphs with simple zigzags and give the upper bound 9 for the number of zigzags in general tight graphs. For the remaining case (a,b)=(5,6) we give a construction realizing a prescribed zigzag structure.
GoldbergCoxeter Construction for 3 and 4valent Plane Graphs
, 2004
"... We consider the GoldbergCoxeter construction GC k,l (G 0 ) (a generalization of a simplicial subdivision of the dodecahedron considered in [Gold37] and [Cox71]), which produces a plane graph from any 3 or 4valent plane graph for integer parameters k, l.Azigzag in a plane graph is a circuit of ed ..."
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Cited by 3 (3 self)
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We consider the GoldbergCoxeter construction GC k,l (G 0 ) (a generalization of a simplicial subdivision of the dodecahedron considered in [Gold37] and [Cox71]), which produces a plane graph from any 3 or 4valent plane graph for integer parameters k, l.Azigzag in a plane graph is a circuit of edges, such that any two, but no three, consecutive edges belong to the same face; a central circuit in a 4valent plane graph G is a circuit of edges, such that no two consecutive edges belong to the same face. We study the zigzag (or central circuit) structure of the resulting graph using the algebraic formalism of the moving group,the(k, l)product and a finite index subgroup of SL 2 (Z), whose elements preserve the above structure. We also study the intersection pattern of zigzags (or central circuits) of GC k,l (G 0 ) and consider its projections, obtained by removing all but one zigzags (or central circuits).
Fullerenes and Coordination Polyhedra versus HalfCubes Embeddings
, 1997
"... A fullerene F n is a 3regular (or cubic) polyhedral carbon molecule for which the n vertices  the carbons atoms  are arranged in 12 pentagons and ( n 2 \Gamma 10) hexagons. Only a finite number of fullerenes are expected to be, up to scale, isometrically embeddable into a hypercube. Looking fo ..."
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A fullerene F n is a 3regular (or cubic) polyhedral carbon molecule for which the n vertices  the carbons atoms  are arranged in 12 pentagons and ( n 2 \Gamma 10) hexagons. Only a finite number of fullerenes are expected to be, up to scale, isometrically embeddable into a hypercube. Looking for the list of such fullerenes, we first check the embeddability of all fullerenes F n for n ! 60 and of all preferable fullerenes C n for n ! 86 and their duals. Then, we consider some infinite families, including fullerenes with icosahedral symmetry, which describe virus capsids, onionlike metallic clusters and geodesic domes. Quasiembeddings and fullerene analogues are considered. We also present some results on chemically relevant polyhedra such as coordination polyhedra and cluster polyhedra. Finally we conjecture that the list of known embeddable fullerenes is complete and present its relevance to the Katsura model for vesicles cells. Contents 1 Introduction and Basic Properties 2 1...
MOLECULAR HYPERSTRUCTURES WITH HIGH SYMMETRY
"... Abstract: Starting from the structure of C26 fullerene and by using a series of map operations, a series of hyperstructures were obtained and investigated. A series of measures were performed in order to characterize the obtained hyperstructures and the estimations of the relationship between them w ..."
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Abstract: Starting from the structure of C26 fullerene and by using a series of map operations, a series of hyperstructures were obtained and investigated. A series of measures were performed in order to characterize the obtained hyperstructures and the estimations of the relationship between them were done. Images of two hyperstructures showing greatest informational entropy and lowest energy respectively between investigated ones, geometry optimized are given.