Topological Modelling of Nanostructures and Extended Systems (eBook)

Prof. Dr. Ali Reza Ashrafi, University of Kashan, Department of Mathematics, Kashan, IranProf. Dr. Franco Cataldo, Tor Vergata University, Department of Materials Science, Rome, ItalyProf. Dr. Ali Iranmanesh, Tarbiat Modares University, Department of Mathematics, Tehran, IranDr. Ottorino Ori, Actinium Chemical Research, Rome, Italy

Helical Wrapping of Graphene sheets and their Self-assemble 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 grapheme.- A Pariser-Parr-Pople Model Hamiltonian based approach to the eletronic structure and optical properties of graphene nanostructures.- Topological invariants of Möbius-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 Pólya Theorem.