The Mathematics And Topology Of Fullerenes

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The Mathematics and Topology of Fullerenes

Franco Cataldo,Ante Graovac,Ottorino Ori
The Mathematics and Topology of Fullerenes Book PDF

Author : Franco Cataldo,Ante Graovac,Ottorino Ori
Publisher : Springer Science & Business Media
Page : 294 pages
File Size : 44,7 Mb
Release : 2011-12-01
Category : Science
ISBN : 9789400702219

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The Mathematics and Topology of Fullerenes by Franco Cataldo,Ante Graovac,Ottorino Ori Pdf

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.

Topological Modelling of Nanostructures and Extended Systems

Ali Reza Ashrafi,Franco Cataldo,Ali Iranmanesh,Ottorino Ori
Topological Modelling of Nanostructures and Extended Systems Book PDF

Author : Ali Reza Ashrafi,Franco Cataldo,Ali Iranmanesh,Ottorino Ori
Publisher : Springer Science & Business Media
Page : 575 pages
File Size : 51,7 Mb
Release : 2013-05-19
Category : Science
ISBN : 9789400764132

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Topological Modelling of Nanostructures and Extended Systems by Ali Reza Ashrafi,Franco Cataldo,Ali Iranmanesh,Ottorino Ori Pdf

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.

Advances in Mathematical Chemistry and Applications:

Subhash C. Basak,Guillermo Restrepo,Jose L. Villaveces
Advances in Mathematical Chemistry and Applications Book PDF

Author : Subhash C. Basak,Guillermo Restrepo,Jose L. Villaveces
Publisher : Elsevier
Page : 354 pages
File Size : 44,7 Mb
Release : 2016-02-11
Category : Science
ISBN : 9781681080529

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Advances in Mathematical Chemistry and Applications: by Subhash C. Basak,Guillermo Restrepo,Jose L. Villaveces Pdf

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

Distance, Symmetry, and Topology in Carbon Nanomaterials

Ali Reza Ashrafi,Mircea V. Diudea
Distance Symmetry and Topology in Carbon Nanomaterials Book PDF

Author : Ali Reza Ashrafi,Mircea V. Diudea
Publisher : Springer
Page : 477 pages
File Size : 44,6 Mb
Release : 2016-08-16
Category : Technology & Engineering
ISBN : 9783319315843

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Distance, Symmetry, and Topology in Carbon Nanomaterials by Ali Reza Ashrafi,Mircea V. Diudea Pdf

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.

An Atlas of Fullerenes

P. W. Fowler,D. E. Manolopoulos
An Atlas of Fullerenes Book PDF

Author : P. W. Fowler,D. E. Manolopoulos
Publisher : Courier Corporation
Page : 418 pages
File Size : 51,9 Mb
Release : 2007-01-01
Category : Science
ISBN : 9780486453620

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An Atlas of Fullerenes by P. W. Fowler,D. E. Manolopoulos Pdf

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.

Chemical Topology

D Bonchev,D.H Rouvray
Chemical Topology Book PDF

Author : D Bonchev,D.H Rouvray
Publisher : CRC Press
Page : 354 pages
File Size : 41,7 Mb
Release : 1999-04-23
Category : Science
ISBN : 9056991744

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Chemical Topology by D Bonchev,D.H Rouvray Pdf

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.

New Frontiers in Nanochemistry: Concepts, Theories, and Trends

Mihai V. Putz
New Frontiers in Nanochemistry Concepts Theories and Trends Book PDF

Author : Mihai V. Putz
Publisher : CRC Press
Page : 401 pages
File Size : 48,7 Mb
Release : 2020-05-06
Category : Science
ISBN : 9780429663154

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New Frontiers in Nanochemistry: Concepts, Theories, and Trends by Mihai V. Putz Pdf

New Frontiers in Nanochemistry: Concepts, Theories, and Trends, Volume 2: Topological Nanochemistry is the second of the new three-volume set that explains and explores the important basic and advanced modern concepts in multidisciplinary chemistry. Under the broad expertise of the editor, this second volume explores the rich research areas of nanochemistry with a specific focus on the design and control of nanotechnology by structural and reactive topology. The objective of this particular volume is to emphasize the application of nanochemistry. With 46 entries from eminent international scientists and scholars, the content in this volume spans concepts from A-to-Z—from entries on the atom-bond connectivity index to the Zagreb indices, from connectivity to vapor phase epitaxy, and from fullerenes to topological reactivity—and much more. The definitions within the text are accompanied by brief but comprehensive explicative essays as well as figures, tables, etc., providing a holistic understanding of the concepts presented.

New Frontiers in Nanochemistry: Concepts, Theories, and Trends, 3-Volume Set

Mihai V. Putz
New Frontiers in Nanochemistry Concepts Theories and Trends 3 Volume Set Book PDF

Author : Mihai V. Putz
Publisher : CRC Press
Page : 1479 pages
File Size : 43,9 Mb
Release : 2022-05-30
Category : Science
ISBN : 9780429634093

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New Frontiers in Nanochemistry: Concepts, Theories, and Trends, 3-Volume Set by Mihai V. Putz Pdf

New Frontiers in Nanochemistry: Concepts, Theories, and Trends, 3-Volume Set explains and explores the important fundamental and advanced modern concepts from various areas of nanochemistry and, more broadly, the nanosciences. This innovative and one-of-a kind set consists of three volumes that focus on structural nanochemistry, topological nanochemistry, and sustainable nanochemistry respectively, collectively forming an explicative handbook in nanochemistry. The compilation provides a rich resource that is both thorough and accessible, encompassing the core concepts of multiple areas of nanochemistry. It also explores the content through a trans-disciplinary lens, integrating the basic and advanced modern concepts in nanochemistry with various examples, applications, issues, tools, algorithms, and even historical notes on the important people from physical, quantum, theoretical, mathematical, and even biological chemistry.

Encyclopedia of Astrobiology

Muriel Gargaud,William M. Irvine,Ricardo Amils,Philippe Claeys,Henderson James Cleaves,Maryvonne Gerin,Daniel Rouan,Tilman Spohn,Stéphane Tirard,Michel Viso
Encyclopedia of Astrobiology Book PDF

Author : Muriel Gargaud,William M. Irvine,Ricardo Amils,Philippe Claeys,Henderson James Cleaves,Maryvonne Gerin,Daniel Rouan,Tilman Spohn,Stéphane Tirard,Michel Viso
Publisher : Springer Nature
Page : 3376 pages
File Size : 50,8 Mb
Release : 2023-07-27
Category : Science
ISBN : 9783662650936

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Encyclopedia of Astrobiology by Muriel Gargaud,William M. Irvine,Ricardo Amils,Philippe Claeys,Henderson James Cleaves,Maryvonne Gerin,Daniel Rouan,Tilman Spohn,Stéphane Tirard,Michel Viso Pdf

Now in its third edition the Encyclopedia of Astrobiology serves as the key to a common understanding in the extremely interdisciplinary community of astrobiologists. Each new or experienced researcher and graduate student in adjacent fields of astrobiology will appreciate this reference work in the quest to understand the big picture. The carefully selected group of active researchers contributing to this work are aiming to give a comprehensive international perspective on and to accelerate the interdisciplinary advance of astrobiology. The interdisciplinary field of astrobiology constitutes a joint arena where provocative discoveries are coalescing concerning, e.g. the prevalence of exoplanets, the diversity and hardiness of life, and its chances for emergence. Biologists, astrophysicists, (bio)-chemists, geoscientists and space scientists share this exciting mission of revealing the origin and commonality of life in the Universe. With its overview articles and its definitions the Encyclopedia of Astrobiology not only provides a common language and understanding for the members of the different disciplines but also serves for educating a new generation of young astrobiologists who are no longer separated by the jargon of individual scientific disciplines. This new edition offers ~170 new entries. More than half of the existing entries were updated, expanded or supplemented with figures supporting the understanding of the text. Especially in the fields of astrochemistry and terrestrial extremophiles but also in exoplanets and space sciences in general there is a huge body of new results that have been taken into account in this new edition. Because the entries in the Encyclopedia are in alphabetical order without regard for scientific field, this edition includes a section “Astrobiology by Discipline” which lists the entries by scientific field and subfield. This should be particularly helpful to those enquiring about astrobiology, as it illustrates the broad and detailed nature of the field.

21st Century Nanoscience

Klaus D. Sattler
21st Century Nanoscience Book PDF

Author : Klaus D. Sattler
Publisher : CRC Press
Page : 4153 pages
File Size : 47,6 Mb
Release : 2022-01-18
Category : Science
ISBN : 9781351260558

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21st Century Nanoscience by Klaus D. Sattler Pdf

This 21st Century Nanoscience Handbook will be the most comprehensive, up-to-date large reference work for the field of nanoscience. Handbook of Nanophysics, by the same editor, published in the fall of 2010, was embraced as the first comprehensive reference to consider both fundamental and applied aspects of nanophysics. This follow-up project has been conceived as a necessary expansion and full update that considers the significant advances made in the field since 2010. It goes well beyond the physics as warranted by recent developments in the field. Key Features: Provides the most comprehensive, up-to-date large reference work for the field. Chapters written by international experts in the field. Emphasises presentation and real results and applications. This handbook distinguishes itself from other works by its breadth of coverage, readability and timely topics. The intended readership is very broad, from students and instructors to engineers, physicists, chemists, biologists, biomedical researchers, industry professionals, governmental scientists, and others whose work is impacted by nanotechnology. It will be an indispensable resource in academic, government, and industry libraries worldwide. The fields impacted by nanoscience extend from materials science and engineering to biotechnology, biomedical engineering, medicine, electrical engineering, pharmaceutical science, computer technology, aerospace engineering, mechanical engineering, food science, and beyond.

21st Century Nanoscience – A Handbook

Klaus D. Sattler
21st Century Nanoscience A Handbook Book PDF

Author : Klaus D. Sattler
Publisher : CRC Press
Page : 371 pages
File Size : 53,7 Mb
Release : 2019-11-21
Category : Science
ISBN : 9781000497427

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21st Century Nanoscience – A Handbook by Klaus D. Sattler Pdf

This up-to-date reference is the most comprehensive summary of the field of nanoscience and its applications. It begins with fundamental properties at the nanoscale and then goes well beyond into the practical aspects of the design, synthesis, and use of nanomaterials in various industries. It emphasizes the vast strides made in the field over the past decade – the chapters focus on new, promising directions as well as emerging theoretical and experimental methods. The contents incorporate experimental data and graphs where appropriate, as well as supporting tables and figures with a tutorial approach.

Combinatorial And Toric Homotopy: Introductory Lectures

Darby Alastair,Grbic Jelena,Lu Zhi
Combinatorial And Toric Homotopy Introductory Lectures Book PDF

Author : Darby Alastair,Grbic Jelena,Lu Zhi
Publisher : World Scientific
Page : 448 pages
File Size : 55,7 Mb
Release : 2017-10-20
Category : Mathematics
ISBN : 9789813226586

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Combinatorial And Toric Homotopy: Introductory Lectures by Darby Alastair,Grbic Jelena,Lu Zhi Pdf

This volume consists of introductory lectures on the topics in the new and rapidly developing area of toric homotopy theory, and its applications to the current research in configuration spaces and braids, as well as to more applicable mathematics such as fr-codes and robot motion planning. The book starts intertwining homotopy theoretical and combinatorial ideas within the remits of toric topology and illustrates an attempt to classify in a combinatorial way polytopes known as fullerenes, which are important objects in quantum physics, quantum chemistry and nanotechnology. Toric homotopy theory is then introduced as a further development of toric topology, which describes properties of Davis–Januszkiewicz spaces, moment-angle complexes and their generalizations to polyhedral products. The book also displays the current research on configuration spaces, braids, the theory of limits over the category of presentations and the theory of fr-codes. As an application to robotics, the book surveys topological problems relevant to the motion planning problem of robotics and includes new results and constructions, which enrich the emerging area of topological robotics. The book is at research entry level addressing the core components in homotopy theory and their important applications in the sciences and thus suitable for advanced undergraduate and graduate students. Contents: Toric Homotopy Theory (Stephen Theriault)Fullerenes, Polytopes and Toric Topology (Victor M Buchstaber and Nikolay Yu Erokhovets)Around Braids (Vladimir Vershinin)Higher Limits, Homology Theories and fr-Codes (Sergei O Ivanov and Roman Mikhailov)Configuration Spaces and Robot Motion Planning Algorithms (Michael Farber)Cellular Stratified Spaces (Dai Tamaki) Readership: Advanced undergraduate and graduate students as well as researchers interested in homotopy theory and its applications in the sciences. Keywords: Toric Topology;Toric Homotopy;Configuration Space;Stratified Spaces;Braid Group;Fullerene;Polytope;Virtual Braid Group;Thompson Group;Robotics;Motion PlanningReview: Key Features: The first book in the area of toric homotopy theory consisting of introductory lectures on the topics and their applications to fr-codes and robot motion planning

Electronic Structure Calculations on Fullerenes and Their Derivatives

Jerzy Cioslowski
Electronic Structure Calculations on Fullerenes and Their Derivatives Book PDF

Author : Jerzy Cioslowski
Publisher : Oxford University Press, USA
Page : 310 pages
File Size : 53,7 Mb
Release : 1995
Category : Literary Criticism
ISBN : UOM:39015034300429

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Electronic Structure Calculations on Fullerenes and Their Derivatives by Jerzy Cioslowski Pdf

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.

Spin Chemical Physics of Graphene

Elena Sheka
Spin Chemical Physics of Graphene Book PDF

Author : Elena Sheka
Publisher : CRC Press
Page : 468 pages
File Size : 43,7 Mb
Release : 2017-11-23
Category : Science
ISBN : 9781351858601

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Spin Chemical Physics of Graphene by Elena Sheka Pdf

Graphene’s nickname ‘miracle material’ normally means the material superior properties. However, all these characteristics are only the outward manifestation of the wonderful nature of graphene. The real miracle of graphene is that the specie is a union of two entities: a physical - and a chemical one, each of which is unique in its own way. The book concerns a very close interrelationship between graphene physics and chemistry as expressed via typical spin effects of a chemical physics origin. Based on quantum-chemical computations, the book is nevertheless addressed to the reflection of physical reality and it is aimed at an understanding of what constitutes graphene as an object of material science – sci graphene – on the one hand, and as a working material- high tech graphene - for a variety of attractive applications largely discussed and debated in the press, on the other. The book is written by a user of quantum chemistry, sufficiently experienced in material science, and the chemical physics of graphene is presented as the user view based on results of extended computational experiments in tight connection with their relevance to physical and chemical realities. The experiments have been carried out at the same theoretical platform, which allows considering different sides of the graphene life at the same level in light of its chemical peculiarity.

Geometric Structure of Chemistry-Relevant Graphs

Michel-Marie Deza,Mathieu Dutour Sikirić,Mikhail Ivanovitch Shtogrin
Geometric Structure of Chemistry Relevant Graphs Book PDF

Author : Michel-Marie Deza,Mathieu Dutour Sikirić,Mikhail Ivanovitch Shtogrin
Publisher : Springer
Page : 211 pages
File Size : 52,7 Mb
Release : 2015-05-26
Category : Mathematics
ISBN : 9788132224495

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Geometric Structure of Chemistry-Relevant Graphs by Michel-Marie Deza,Mathieu Dutour Sikirić,Mikhail Ivanovitch Shtogrin Pdf

The central theme of the present book is zigzags and central-circuits of three- or four-regular plane graphs, which allow a double covering or covering of the edgeset to be obtained. The book presents zigzag and central circuit structures of geometric fullerenes and several other classes of graph of interest in the fields of chemistry and mathematics. It also discusses the symmetries, parameterization and the Goldberg–Coxeter construction for those graphs. It is the first book on this subject, presenting full structure theory of such graphs. While many previous publications only addressed particular questions about selected graphs, this book is based on numerous computations and presents extensive data (tables and figures), as well as algorithmic and computational information. It will be of interest to researchers and students of discrete geometry, mathematical chemistry and combinatorics, as well as to lay mathematicians.