Related papers: Some open mathematical problems on fullerenes
Graphene, the one-atom-thick sp2 hybridized carbon crystal, displays unique electronic, structural and mechanical properties, which promise a large number of interesting applications in diverse high tech fields. Many of these applications…
After Curl, Kroto and Smalley were awarded 1996 the Nobel Prize in chemistry, fullerenes have been subject of much research. One part of that research is the prediction of a fullerene's stability using topological descriptors. It was mainly…
A simple cut-and-patch method is presented for the construction and classification for fullerenes belonging to the octahedral point groups, $O$ or $O_h$. In order to satisfy the symmetry requirement of the octahedral group, suitable numbers…
Carbon is one of the most intriguing elements in the Periodic Table. It forms many allotropes, some being known from ancient times (diamond and graphite) and some discovered ten to twenty years ago (fullerenes, nanotubes). Quite…
A hexagonal patch is a plane graph in which inner faces have length 6, inner vertices have degree 3, and boundary vertices have degree 2 or 3. We consider the following counting problem: given a sequence of twos and threes, how many…
This article introduces the theory of Veronese polytopes, a broad generalisation of cyclic polytopes. These arise as convex hulls of points on curves with one or more connected components, obtained as the image of the rational normal curve…
It is conjectured that every fullerene graph is hamiltonian. Jendrol' and Owens proved [J. Math. Chem. 18 (1995), pp. 83--90] that every fullerene graph on n vertices has a cycle of length at least 4n/5. In this paper, we improve this bound…
Hexagon relations are algebraic realizations of four-dimensional Pachner moves, and there are hexagon relations admitting nontrivial cohomologies and leading thus to piecewise linear (PL) 4-manifold invariants. We show that some - but not…
Graphene, a two-dimensional crystal made of carbon atoms, provides a new and unexpected bridge between low and high-energy physics. The field has evolved very fast and very good reviews are already available in the literature. Graphene…
Energies of a certain class of fullerene molecules (elongated, contracted, and regular icosahedral fullerenes) are numerically calculated using a microscopic description of carbon-carbon bonding. It is shown how these results can be…
The correlation of odd electrons in graphene turns out to be significant so that the species should be attributed to correlated ones. This finding profoundly influences the computational strategy addressing it to multireference…
In most of today's exactly solved classes of polyominoes, either all members are convex (in some way), or all members are directed, or both. If the class is neither convex nor directed, the exact solution uses to be elusive. This paper is…
Molecular Mechanics describes molecules as particle configurations interacting via classical potentials. These {\it configurational energies} usually consist of the sum of different phenomenological terms which are tailored to the…
This presentation starts with the regular polygons, of course, then with the Platonic and Archimedean solids. The latter ones are whose symmetry groups are transitive on the vertices, and in addition, whose faces are regular polygons (see…
The lectures are devoted to a remarkable class of $3$-dimensional polytopes, which are mathematical models of the important object of quantum physics, quantum chemistry and nanotechnology -- fullerenes. The main goal is to show how results…
In the present work we have studied the structural and electronic properties of recently synthesized elusive free standing triangulene using density functional theory. Triangulene, which is a type of graphene quantum dot, is a molecule with…
Graphane is a two-dimensional system consisting of a single layer of fully saturated (sp$^3$ hybridization) carbon atoms. In an ideal graphane structure C-H bonds exhibit an alternating pattern (up and down with relation to the plane…
The problem of enumerating meanders -- pairs of simple plane curves with transverse intersections -- was formulated about forty years ago and is still far from solved. Recently, it was discovered that meanders admit a factorization into…
Membranes holomorphically embedded in flat noncompact space are constructed in terms of the degrees of freedom of an infinite collection of 0-branes. To each holomorphic curve we associate infinite-dimensional matrices which are static…
A two-dimensional carbon allotrope, Stone-Wales graphene, is identified in stochastic group and graph constrained searches and systematically investigated by first-principles calculations. Stone-Wales graphene consists of well-arranged…