The Mathematics and Topology of Fullerenes PDF Download

Author: Franco Cataldo
Publisher: Springer Science & Business Media
ISBN: 9400702213
Category : Science
Languages : en
Pages : 294

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Book Description
The Mathematics and Topology of Fullerenes presents a comprehensive overview of scientific and technical innovations in theoretical and experimental studies. Topics included in this multi-author volume are: Clar structures for conjugated nanostructures; counting polynomials of fullerenes; topological indices of fullerenes; the wiener index of nanotubes; toroidal fullerenes and nanostars; C60 Structural relatives: a topological study; local combinatorial characterization of fullerenes; computation of selected topological indices of C60 and C80 Fullerenes via the Gap Program; 4valent- analogues of fullerenes; a detailed atlas of Kekule structures of C60. The Mathematics and Topology of Fullerenes is targeted at advanced graduates and researchers working in carbon materials, chemistry and physics.

Author: P. W. Fowler
Publisher: Courier Corporation
ISBN: 0486453626
Category : Science
Languages : en
Pages : 418

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Book Description
An introduction to the current state of theory in a new and lively field, this volume offers both students and researchers a practical guide. It features a comprehensive set of pictures of fullerene structures and tabulates their properties. In addition, it lists a computer program that will extend the tables as needed. Seven chapters of descriptive material precede over 200 pages of tables with corresponding diagrams and serve as a self-contained introduction. Topics include fullerene cages, electronic structure, steric strain, symmetry and spectroscopy, fullerene isomerization, and carbon gain and loss. Each chapter concludes with references and notes.

Author: Ali Reza Ashrafi
Publisher: Springer Science & Business Media
ISBN: 9400764138
Category : Science
Languages : en
Pages : 584

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Book Description
Topological 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 Toporeactcivity 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.

Author: Subhash C. Basak
Publisher: Elsevier
ISBN: 1681080524
Category : Mathematics
Languages : en
Pages : 356

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Book Description
Advances in Mathematical Chemistry and Applications highlights the recent progress in the emerging discipline of discrete mathematical chemistry. Editors Subhash C. Basak, Guillermo Restrepo, and Jose Luis Villaveces have brought together 27 chapters written by 68 internationally renowned experts in these two volumes. Each volume comprises a wise integration of mathematical and chemical concepts and covers numerous applications in the field of drug discovery, bioinformatics, chemoinformatics, computational biology, mathematical proteomics, and ecotoxicology. Volume 2 explores deeper the topics introduced in Volume 1, with numerous additional topics such as topological approaches for classifying fullerene isomers; chemical reaction networks; discrimination of small molecules using topological molecular descriptors; GRANCH methods for the mathematical characterization of DNA, RNA and protein sequences; linear regression methods and Bayesian techniques; in silico toxicity prediction methods; drug design; integration of bioinformatics and systems biology, molecular docking, and molecular dynamics; metalloenzyme models; protein folding models; molecular periodicity; generalized topologies and their applications; and many more. Brings together both the theoretical and practical aspects of the fundamental concepts of mathematical chemistry Covers applications in diverse areas of physics, chemistry, drug discovery, predictive toxicology, systems biology, chemoinformatics, and bioinformatics About half of the book focuses primarily on current work, new applications, and emerging approaches for the mathematical characterization of essential aspects of molecular structure, while the other half describes applications of structural approach to new drug discovery, virtual screening, protein folding, predictive toxicology, DNA structure, and systems biology

Author: Ali Reza Ashrafi
Publisher: Springer
ISBN: 3319315846
Category : Technology & Engineering
Languages : en
Pages : 481

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Book Description
This contributed volume is inspired by the seminal discovery and identification of C60. Starting with a comprehensive discussion featuring graphene based nanostructures, subsequent chapters include topological descriptions of matrices, polynomials and indices, and an extended analysis of the symmetry and topology of nanostructures. Carbon allotropes such as diamond and its connection to higher-dimensional spaces is explored along with important mathematical and topological considerations. Further topics covered include spontaneous symmetry breaking in graphene, polyhedral carbon structures, nanotube junction energetics, and cyclic polyines as relatives of nanotubes and fullerenes. This book is aimed at researchers active in the study of carbon materials science and technology.

Author: D Bonchev
Publisher: CRC Press
ISBN: 9789056991746
Category : Science
Languages : en
Pages : 354

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Book Description
Topology is becoming increasingly important in chemistry because of its rapidly growing number of applications. Here, its many uses are reviewed and the authors anticipate what future developments might bring. This work shows how significant new insights can be gained by representing molecular species as topological structures known as topographs. The text explores carbon structures, establishing how the stability of fullerene species can be accounted for and also predicting which fullerenes will be most stable. It is pointed out that molecular topology, rather than molecular geometry, characterizes molecular shape and various tools for shape characterization are described. Several of the fascinating ideas that arise from regarding topology as a unifying principle in chemical bonding theory are discussed, and in particular, the novel concept of the molecular topoid is shown to have numerous uses. The topological description of polymers is examined and the reader is gently guided through the realms of branched and tangled polymers. Overall, this work outlines the fact that topology is not only a theoretical discipline but also one that has practical applications and high relevance to the whole domain of chemistry.

Author: Jerzy Cioslowski
Publisher: Oxford University Press, USA
ISBN:
Category : Literary Criticism
Languages : en
Pages : 310

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Book Description
This book provides a comprehensive overview of the latest approaches to electronic structure calculations of fullerenes. Topics include C(60) and C(70) molecules, the medium-size fullerenes, large carbon clusters, hypothetical allotropic forms of carbon, small fullerenes, endohedral complexes, heterofullerenes, fullerene derivatives, and solid-state fullerenes. A summary of recent research breakthroughs and a discussion of potential future directions round out the book. Far-reaching and well-written, the book will be welcomed by students and researchers in chemistry and quantum physics.

Author: H. W. Kroto
Publisher: Cambridge University Press
ISBN: 0521459176
Category : Science
Languages : en
Pages : 166

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Book Description
In 1985, Buckminsterfullerene (fullerene-60) C60 was discovered serendipitously during graphite laser vaporisation experiments designed to simulate the chemistry in a red giant carbon star. The molecule was isolated for the first time in macroscopic amounts in 1990, a breakthrough which triggered an explosion of research into its chemical and physical properties. The fullerenes hold great potential for material science applications, such as semiconductors and microscopic engineering, and as new compounds for pharmaceuticals, polymers and the chemical industry. In October 1992, a Discussion Meeting of the Royal Society entitled A Post-Buckminsterfullerene View of the Chemistry, Physics and Astrophysics of Carbon, organised by H. W. Kroto, A. L. Makay, G. Turner and D. R. M. Walton, was held to celebrate this exciting advance. The scientists who played key roles in the discovery and who are currently uncovering fascinating problems and the implications of this elegant molecule presented the papers published in this book.

Author: Prashant V. Kamat
Publisher: The Electrochemical Society
ISBN: 9781566772341
Category : Science
Languages : en
Pages : 856

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Book Description

Author: K. Prassides
Publisher: Springer Science & Business Media
ISBN: 9401109842
Category : Science
Languages : en
Pages : 348

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Book Description
In September 1985, in an attempt to simulate the chemistry in a carbon star, Harry Kroto, Bob Curl and Richard Smalley set up a mass spectrometry experiment to study the plasma produced by focusing a pulsed laser on solid graphite. Serendipitously, a dominant 720 amu mass peak corresponding to a C60 species was revealed in the time-of-flight mass spectrum of the resulting carbon clusters. It was proposed that this C60 cluster had the closed cage structure of a truncated icosahedron (a soccerball) and was named Buckminsterfullerene because geodesic dome concepts, pioneered by the architect Buckminster Fuller, played an important part in arriving at this solution. The signal for a C70 species (840 amu) , proposed to have the ellipsoidal shape of a rugbyball, was also prominent in the early experiments. Five years later, the seminal work of the Sussex! Rice collaboration was triumphantly confirmed as Wolfgang Krlitschmer and Donald Huffman succeeded in producing, and separating, bulk crystalline samples of fullerene material from arc-processed (in an inert gas atmosphere) carbon deposits. From then onwards, fullerene research continued, and still proceeds, at an exhilarating pace. The materials excited the imagination of many diverse classes of scientists, resulting in a truly interdisciplinary field. Many of our old, seemingly well-founded, preconceptions in carbon science had to be radically altered or totally abandoned, as a new round world of chemistry, physics and materials science began to unfold.