LEADER 06311nam 2200505 a 450 001 9910437796903321 005 20200520144314.0 010 $a94-007-6413-8 024 7 $a10.1007/978-94-007-6413-2 035 $a(OCoLC)845050832 035 $a(MiFhGG)GVRL6WNF 035 $a(CKB)2670000000372397 035 $a(MiAaPQ)EBC1317017 035 $a(EXLCZ)992670000000372397 100 $a20130506d2013 uy 0 101 0 $aeng 135 $aurun|---uuuua 181 $ctxt 182 $cc 183 $acr 200 00$aTopological modelling of nanostructures and extended systems /$fAli Reza Ashrafi ... [et al.], editors 205 $a1st ed. 2013. 210 $aNew York $cSpringer$d2013 215 $a1 online resource (xv, 575 pages) $cillustrations (some color) 225 1 $aCarbon materials : chemistry and physics,$x1875-0745 300 $a"ISSN: 1875-0745." 311 $a94-007-9387-1 311 $a94-007-6412-X 320 $aIncludes bibliographical references and index. 327 $aHelical 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 electronic 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.                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                        . 330 $aTopological Modelling of Nanostructures and Extended Systems completes and expands upon the previously published title within this series: The Mathematics and Topology of Fullerenes (Vol. 4, 2011) by gathering the latest research and advances in materials science at nanoscale. It introduces a new speculative area and novel concepts like topochemical reactions and colored reactive topological indices and provides a better understanding of the physical-chemical behaviors of extended systems. Moreover, a charming new family of space-filling fullerenic crystals is here analyzed for the first time. Particular attention is given to the fundamental influences exercised by long-range connectivity topological mechanisms on the chemical and physical properties of carbon nanostructures. Systems consisting in graphenic layers with structural and topological defects are investigated in their electronic and magnetic behaviors also in presence of metallic particles. More specifically, the book focuses on:  · Electronic Properties of low dimensional nanostructures including negatively-curved carbon surfaces;­ Pariser-Parr-Pople model hamiltonian approach to graphene studies; ·Topochemistry and Toporeactivity of extended sp2-nanocarbons: PAH, fullerenes, nanoribbons, Moebius-like nanoribbons, nanotubes and grapheme; ·Novel class of crystal networks arising from spanning fullerenes; ·Nanostructures and eigenvectors of matrices and an extended treatise of topological invariants; ·Enumeration hetero-fullerenes by Polya theory. Topological Modelling of Nanostructures and Extended Systems represents a valuable resource to advances graduates and researchers working in mathematics, chemistry, physics and material science. 410 0$aCarbon materials : chemistry and physics. 606 $aNanostructures$xDesign and construction 606 $aNanoscience 615 0$aNanostructures$xDesign and construction. 615 0$aNanoscience. 676 $a541 701 $aAshrafi$b Ali Reza$01758223 801 0$bMiAaPQ 801 1$bMiAaPQ 801 2$bMiAaPQ 906 $aBOOK 912 $a9910437796903321 996 $aTopological modelling of nanostructures and extended systems$94196378 997 $aUNINA