Ashrafi A.R., Cataldo F., Iranmanesh A., Ori O. (Eds.) Topological Modelling of Nanostructures and Extended Systems

Springer Science+Business Media, Dordrecht, 2013. – 584 p. – ISBN: 978-94-007-6412-5Topological Modelling of Nanostructures and Extended Systems completes and expands upon the previously published title within this series: The Mathematics and Topology of Fullerenes (Vol. 4, 2011) by gathering the latest research and advances in materials science at nanoscale. It introduces a new speculative area and novel concepts like topochemical reactions and colored reactive topological indices and provides a better understanding of the physical-chemical behaviors of extended systems. Moreover, a charming new family of space-filling fullerenic crystals is here analyzed for the first time.
Particular attention is given to the fundamental influences exercised by long-range connectivity topological mechanisms on the chemical and physical properties of carbon nanostructures. Systems consisting in graphenic layers with structural and topological defects are investigated in their electronic and magnetic behaviors also in presence of metallic particles.
Topological Modelling of Nanostructures and Extended Systems represents a valuable resource to advances graduates and researchers working in mathematics, chemistry, physics and material science.Helical Wrapping of Graphene Sheets and Their Self-Assembly into Core-Shelled Composite
Nanostructures with Metallic Particles
First-Principles Study of the Electronic and Magnetic Properties of Defects in Carbon Nanostructures
Structural Defects on the Electronic Transport Properties of Carbon-Based Nanostructures
Topological Versus Physical and Chemical Properties of Negatively Curved Carbon Surfaces
Topochemistry of Spatially Extended sp2 Nanocarbons: Fullerenes, Nanotubes, and Graphene
A Pariser–Parr–Pople Model Hamiltonian-Based Approach to the Electronic Structure and Optical Properties of Graphene Nanostructures
Topological Invariants of M¨obius-Like Graphenic Nanostructures
Spanning Fullerenes as Units in Crystal Networks
Introducing “Colored”Molecular Topology by Reactivity Indices of Electronegativity and Chemical Hardness
Nanostructures and Eigenvectors of Matrices
Theoretical Analysis of the Reactivity of Carbon Nanotubes: Local Versus Topological Effects
Computation of the Szeged Index of Some Nanotubes and Dendrimers
The Edge-Wiener Index and Its Computation for Some Nanostructures
Study of Fullerenes by Some New Topological Index
Topological Study of (3,6) – and (4,6) –Fullerenes
Enumeration of Hetero-molecules by Using P´olya Theorem