Zobrazeno 1 - 10
of 23
pro vyhledávání: '"Edward C. Kirby"'
Publikováno v:
Croatica Chemica Acta
Volume 90
Issue 1
Volume 90
Issue 1
The duality alluded to in the title is that between the faces and vertices of a graph embedded on a surface. Its recognition in the context of the five Platonic solids is classic. Algebraically, it is present in the equation for Euler’s Polyhedron
Publikováno v:
Croatica Chemica Acta
Volume 89
Issue 4
Volume 89
Issue 4
What Kirchhoff actually did concerning spanning trees in the course of his classic paper in the 1847 Annalen der Physik und Chemie has, to some extent, long been shrouded in myth in the literature of Graph Theory and Mathematical Chemistry. In this r
Publikováno v:
Phys. Chem. Chem. Phys.. 5:4210-4214
A novel method for generating “in silico” polyhex nanotubes, based on appropriate cutting performed on a square lattice embedded on the cylindrical surface, is added to the well-known graphite zone-folding procedure. The structures obtained are i
Autor:
Edward C. Kirby, Mircea V. Diudea
Publikováno v:
Fullerene Science and Technology. 9:445-465
Tessellated tori, generated here from square-like tiled lattices, are closely related to cylinders and capped tubes. This way of building them enables the orientation of their bonds, and so the geometric proportions of the torus, to be specified for
Autor:
Paul Pollak, Edward C. Kirby
Publikováno v:
Journal of Chemical Information and Computer Sciences. 38:66-70
A simple algorithm is described for enumerating all isomers of a toroidal polyhex fullerene (a boundless network of three-valent carbon atoms embedded in the surface of an imaginary torus where all the rings or faces are hexagons). An implementation
Autor:
Tomaž Pisanski, Edward C. Kirby
Publikováno v:
Journal of Mathematical Chemistry. 23:151-167
Recent work on toroidal and Klein bottle fullerenes is reported, including, in particular, attempts to generate useful visual models with the NiceGraph program (part of the Vega package). Some strengths and weaknesses of this modelling software are m
Publikováno v:
Journal of the Chemical Society, Faraday Transactions. 93:1037-1043
It is shown that the non-bonding orbitals of many graphite-derived carbon frameworks can be understood in terms of the four non-bonding orbitals of the graphite sheet. Several infinite series of fullerenes with non-bonding orbitals are identified, an
Publikováno v:
Polycyclic Aromatic Compounds. 4:219-229
A fully-naphthalenoid system (or simply fully-naphthalenoid) is a benzenoid where all vertices can be covered by disjoint naphthalene units. Invariants of these systems are studied with special emphasis on the CnHs formulae. An extensive enumeration
Publikováno v:
Fullerene Science and Technology. 2:481-497
An algorithm to generate the molecular graphs of the trivalent clusters is presented. All the polyhedral trivalent cages with 4–16 vertices are enumerated, with particular attention being given to their symmetry, spectra and stability. The relative
Autor:
Edward C. Kirby
Publikováno v:
Journal of Chemical Information and Computer Sciences. 34:1030-1035