Topological Modelling Of Nanostructures And Extended Systems

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Topological Modelling of Nanostructures and Extended Systems

Author : Ali Reza Ashrafi
Publisher : Springer Science & Business Media
ISBN 13 : 9400764138
Total Pages : 575 pages
Book Rating : 4.4/5 (7 download)

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Book Synopsis Topological Modelling of Nanostructures and Extended Systems by : Ali Reza Ashrafi

Download or read book Topological Modelling of Nanostructures and Extended Systems written by Ali Reza Ashrafi and published by Springer Science & Business Media. This book was released on 2013-05-19 with total page 575 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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.

Spin Chemical Physics of Graphene

Author : Elena Sheka
Publisher : CRC Press
ISBN 13 : 1351858602
Total Pages : 468 pages
Book Rating : 4.3/5 (518 download)

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Book Synopsis Spin Chemical Physics of Graphene by : Elena Sheka

Download or read book Spin Chemical Physics of Graphene written by Elena Sheka and published by CRC Press. This book was released on 2017-11-23 with total page 468 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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.

Distance, Symmetry, and Topology in Carbon Nanomaterials

Author : Ali Reza Ashrafi
Publisher : Springer
ISBN 13 : 3319315846
Total Pages : 477 pages
Book Rating : 4.3/5 (193 download)

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Book Synopsis Distance, Symmetry, and Topology in Carbon Nanomaterials by : Ali Reza Ashrafi

Download or read book Distance, Symmetry, and Topology in Carbon Nanomaterials written by Ali Reza Ashrafi and published by Springer. This book was released on 2016-08-16 with total page 477 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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.

21st Century Nanoscience

Author : Klaus D. Sattler
Publisher : CRC Press
ISBN 13 : 1351260553
Total Pages : 4153 pages
Book Rating : 4.3/5 (512 download)

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Book Synopsis 21st Century Nanoscience by : Klaus D. Sattler

Download or read book 21st Century Nanoscience written by Klaus D. Sattler and published by CRC Press. This book was released on 2022-01-18 with total page 4153 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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

Author : Klaus D. Sattler
Publisher : CRC Press
ISBN 13 : 1000497429
Total Pages : 371 pages
Book Rating : 4.0/5 (4 download)

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Book Synopsis 21st Century Nanoscience – A Handbook by : Klaus D. Sattler

Download or read book 21st Century Nanoscience – A Handbook written by Klaus D. Sattler and published by CRC Press. This book was released on 2019-11-21 with total page 371 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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.

The Classes of Higher Dimensional Polytopes in Chemical, Physical, and Biological Systems

Author : Zhizhin, Gennadiy Vladimirovich
Publisher : IGI Global
ISBN 13 : 1799883760
Total Pages : 366 pages
Book Rating : 4.7/5 (998 download)

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Book Synopsis The Classes of Higher Dimensional Polytopes in Chemical, Physical, and Biological Systems by : Zhizhin, Gennadiy Vladimirovich

Download or read book The Classes of Higher Dimensional Polytopes in Chemical, Physical, and Biological Systems written by Zhizhin, Gennadiy Vladimirovich and published by IGI Global. This book was released on 2022-04-08 with total page 366 pages. Available in PDF, EPUB and Kindle. Book excerpt: The study of the geometry of structures that arise in a variety of specific natural systems, such as chemical, physical, biological, and geological, revealed the existence of a wide range of types of polytopes of the highest dimension that were unknown in classical geometry. At the same time, new properties of polytopes were discovered as well as the geometric patterns to which they obey. There is a need to classify these types of polytopes of the highest dimension by listing their properties and formulating the laws to which they obey. The Classes of Higher Dimensional Polytopes in Chemical, Physical, and Biological Systems explains the meaning of higher dimensions and systematically generalizes the results of geometric research in various fields of knowledge. This book is useful both for the fundamental development of geometry and for the development of branches of science related to human activities. It builds upon previous books published by the author on this topic. Covering areas such as heredity, geometry, and dimensions, this reference work is ideal for researchers, scholars, academicians, practitioners, industry professionals, instructors, and students.

The Role of Topology in Materials

Author : Sanju Gupta
Publisher : Springer
ISBN 13 : 3319765965
Total Pages : 297 pages
Book Rating : 4.3/5 (197 download)

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Book Synopsis The Role of Topology in Materials by : Sanju Gupta

Download or read book The Role of Topology in Materials written by Sanju Gupta and published by Springer. This book was released on 2018-04-21 with total page 297 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book presents the most important advances in the class of topological materials and discusses the topological characterization, modeling and metrology of materials. Further, it addresses currently emerging characterization techniques such as optical and acoustic, vibrational spectroscopy (Brillouin, infrared, Raman), electronic, magnetic, fluorescence correlation imaging, laser lithography, small angle X-ray and neutron scattering and other techniques, including site-selective nanoprobes. The book analyzes the topological aspects to identify and quantify these effects in terms of topology metrics. The topological materials are ubiquitous and range from (i) de novo nanoscale allotropes of carbons in various forms such as nanotubes, nanorings, nanohorns, nanowalls, peapods, graphene, etc. to (ii) metallo-organic frameworks, (iii) helical gold nanotubes, (iv) Möbius conjugated polymers, (v) block co-polymers, (vi) supramolecular assemblies, to (vii) a variety of biological and soft-matter systems, e.g. foams and cellular materials, vesicles of different shapes and genera, biomimetic membranes, and filaments, (viii) topological insulators and topological superconductors, (ix) a variety of Dirac materials including Dirac and Weyl semimetals, as well as (x) knots and network structures. Topological databases and algorithms to model such materials have been also established in this book. In order to understand and properly characterize these important emergent materials, it is necessary to go far beyond the traditional paradigm of microscopic structure–property–function relationships to a paradigm that explicitly incorporates topological aspects from the outset to characterize and/or predict the physical properties and currently untapped functionalities of these advanced materials. Simulation and modeling tools including quantum chemistry, molecular dynamics, 3D visualization and tomography are also indispensable. These concepts have found applications in condensed matter physics, materials science and engineering, physical chemistry and biophysics, and the various topics covered in the book have potential applications in connection with novel synthesis techniques, sensing and catalysis. As such, the book offers a unique resource for graduate students and researchers alike.

Quantum Systems in Physics, Chemistry, and Biology

Author : Alia Tadjer
Publisher : Springer
ISBN 13 : 3319502557
Total Pages : 449 pages
Book Rating : 4.3/5 (195 download)

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Book Synopsis Quantum Systems in Physics, Chemistry, and Biology by : Alia Tadjer

Download or read book Quantum Systems in Physics, Chemistry, and Biology written by Alia Tadjer and published by Springer. This book was released on 2017-05-30 with total page 449 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book reviews the most significant developments in quantum methodology applied to a broad variety of problems in chemistry, physics, and biology. In particular, it discusses atomic and molecular structure, dynamics and spectroscopy as well as applications of quantum theory to biological and condensed matter systems. The volume contains twenty-four selected, peer-reviewed contributions based on the presentations given at the Twentieth International Workshop on Quantum Systems in Chemistry, Physics, and Biology (QSCP-XX), held in Varna, Bulgaria, in September 2015. It is divided into five sections containing the most relevant papers written by leading experts in the fields. This book will appeal to advanced graduate students, researchers, and academics involved in theoretical, quantum or statistical and computational chemical physics and physical chemistry.

Atomic-Scale Modeling of Nanosystems and Nanostructured Materials

Author : Carlo Massobrio
Publisher : Springer
ISBN 13 : 3642046509
Total Pages : 371 pages
Book Rating : 4.6/5 (42 download)

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Book Synopsis Atomic-Scale Modeling of Nanosystems and Nanostructured Materials by : Carlo Massobrio

Download or read book Atomic-Scale Modeling of Nanosystems and Nanostructured Materials written by Carlo Massobrio and published by Springer. This book was released on 2010-01-19 with total page 371 pages. Available in PDF, EPUB and Kindle. Book excerpt: Understanding the structural organization of materials at the atomic scale is a lo- standing challenge of condensed matter physics and chemistry. By reducing the size of synthesized systems down to the nanometer, or by constructing them as collection of nanoscale size constitutive units, researchers are faced with the task of going beyond models and interpretations based on bulk behavior. Among the wealth of new materials having in common a “nanoscale” ngerprint, one can encounter systems intrinsically extending to a few nanometers (clusters of various compo- tions), systems featuring at least one spatial dimension not repeated periodically in space and assemblies of nanoscale grains forming extended compounds. For all these cases, there is a compelling need of an atomic-scale information combining knowledge of the topology of the system and of its bonding behavior, based on the electronic structure and its interplay with the atomic con gurations. Recent dev- opments in computer architectures and progresses in available computational power have made possible the practical realization of a paradygma that appeared totally unrealistic at the outset of computer simulations in materials science. This consists inbeing able to parallel (at least inprinciple) any experimental effort by asimulation counterpart, this occurring at the scale most appropriate to complement and enrich the experiment.

Nanotechnologies and Clusters in the Spaces of Higher Dimension: Emerging Research and Opportunities

Author : Zhizhin, Gennadiy Vladimirovich
Publisher : IGI Global
ISBN 13 : 1799837858
Total Pages : 286 pages
Book Rating : 4.7/5 (998 download)

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Book Synopsis Nanotechnologies and Clusters in the Spaces of Higher Dimension: Emerging Research and Opportunities by : Zhizhin, Gennadiy Vladimirovich

Download or read book Nanotechnologies and Clusters in the Spaces of Higher Dimension: Emerging Research and Opportunities written by Zhizhin, Gennadiy Vladimirovich and published by IGI Global. This book was released on 2020-10-09 with total page 286 pages. Available in PDF, EPUB and Kindle. Book excerpt: Research on nanomaterials and their applications has become a trending area in various fields of study and practice. Its properties and abilities open a variety of scientific advancements that weren’t possible in past years. One specific area of research that is benefiting from the implementation of nanotechnology is the study of higher-dimensional compounds that include metallic atoms and other polytypes. There is vast potential in the study of how nanomaterials are currently being used for producing clusters in higher dimensions of space. Nanotechnologies and Clusters in the Spaces of Higher Dimension: Emerging Research and Opportunities provides emerging research exploring the theoretical and practical aspects of the production of intermetallic clusters in high dimensional spaces using nanotechnology. Featuring coverage on a broad range of topics such as intermetallic compounds, incident conservation law, and applied mathematics, this book is ideally designed for practitioners, scientists, engineers, researchers, educators, physicists, mathematicians, students, and academicians seeking current research on the use of nanomaterials in interdimensional science.

Quantum Nanochemistry, Volume Five

Author : Mihai V. Putz
Publisher : CRC Press
ISBN 13 : 1498729576
Total Pages : 622 pages
Book Rating : 4.4/5 (987 download)

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Book Synopsis Quantum Nanochemistry, Volume Five by : Mihai V. Putz

Download or read book Quantum Nanochemistry, Volume Five written by Mihai V. Putz and published by CRC Press. This book was released on 2016-04-27 with total page 622 pages. Available in PDF, EPUB and Kindle. Book excerpt: Volume 5 of the 5-volume Quantum Nanochemistry focuses on modeling and predicting of the enzyme kinetics and quantitative structure-activity relationships. It reveals the quantum implications to bio-organic and bio-inorganic systems, to enzyme kinetics, and to pharmacophore binding sites of chemical-biological interaction of molecules through cell membranes in targeting specific bindings modeled by celebrated QSARs (Quantitative Structure-Activity Relationships) here reshaped as Qu-SAR (Quantum Structure-Activity Relationships).

Péter R. Surján

Author : Ágnes Szabados
Publisher : Springer
ISBN 13 : 3662498251
Total Pages : 266 pages
Book Rating : 4.6/5 (624 download)

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Book Synopsis Péter R. Surján by : Ágnes Szabados

Download or read book Péter R. Surján written by Ágnes Szabados and published by Springer. This book was released on 2016-04-27 with total page 266 pages. Available in PDF, EPUB and Kindle. Book excerpt: In this Festschrift dedicated to the 60th birthday of Péter R. Surján, selected researchers in theoretical chemistry present research highlights on major developments in the field. Originally published in the journal Theoretical Chemistry Accounts, these outstanding contributions are now available in a hardcover print format, as well as a special electronic edition. This volume provides valuable content for all researchers in theoretical chemistry and will especially benefit those research groups and libraries with limited access to the journal.

Advances in Quantum Methods and Applications in Chemistry, Physics, and Biology

Author : Matti Hotokka
Publisher : Springer Science & Business Media
ISBN 13 : 331901529X
Total Pages : 379 pages
Book Rating : 4.3/5 (19 download)

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Book Synopsis Advances in Quantum Methods and Applications in Chemistry, Physics, and Biology by : Matti Hotokka

Download or read book Advances in Quantum Methods and Applications in Chemistry, Physics, and Biology written by Matti Hotokka and published by Springer Science & Business Media. This book was released on 2013-09-13 with total page 379 pages. Available in PDF, EPUB and Kindle. Book excerpt: Advances in Quantum Methods and Applications in Chemistry, Physics, and Biology includes peer-reviewed contributions based on carefully selected presentations given at the 17th International Workshop on Quantum Systems in Chemistry, Physics, and Biology. New trends and state-of-the-art developments in the quantum theory of atomic and molecular systems, and condensed matter (including biological systems and nanostructures) are described by academics of international distinction.

Perspectives on Structure and Mechanism in Organic Chemistry

Author : Felix A. Carroll
Publisher : John Wiley & Sons
ISBN 13 : 1119808642
Total Pages : 869 pages
Book Rating : 4.1/5 (198 download)

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Book Synopsis Perspectives on Structure and Mechanism in Organic Chemistry by : Felix A. Carroll

Download or read book Perspectives on Structure and Mechanism in Organic Chemistry written by Felix A. Carroll and published by John Wiley & Sons. This book was released on 2023-04-14 with total page 869 pages. Available in PDF, EPUB and Kindle. Book excerpt: PERSPECTIVES ON STRUCTURE AND MECHANISM IN ORGANIC CHEMISTRY “Beyond the basics” physical organic chemistry textbook, written for advanced undergraduates and beginning graduate students Based on the author’s first-hand classroom experience, Perspectives on Structure and Mechanism in Organic Chemistry uses complementary conceptual models to give new perspectives on the structures and reactions of organic compounds, with the overarching goal of helping students think beyond the simple models of introductory organic chemistry courses. Through this approach, the text better prepares readers to develop new ideas in the future. In the 3rd Edition, the author thoroughly updates the topics covered and reorders the contents to introduce computational chemistry earlier and to provide a more natural flow of topics, proceeding from substitution, to elimination, to addition. About 20% of the 438 problems have been either replaced or updated, with answers available in the companion solutions manual. To remind students of the human aspect of science, the text uses the names of investigators throughout the text and references material to original (or accessible secondary or tertiary) literature as a guide for students interested in further reading. Sample topics covered in Perspectives on Structure and Mechanism in Organic Chemistry include: Fundamental concepts of organic chemistry, covering atoms and molecules, heats of formation and reaction, bonding models, and double bonds Density functional theory, quantum theory of atoms in molecules, Marcus Theory, and molecular simulations Asymmetric induction in nucleophilic additions to carbonyl compounds and dynamic effects on reaction pathways Reactive intermediates, covering reaction coordinate diagrams, radicals, carbenes, carbocations, and carbanions Methods of studying organic reactions, including applications of kinetics in studying reaction mechanisms and Arrhenius theory and transition state theory A comprehensive yet accessible reference on the subject, Perspectives on Structure and Mechanism in Organic Chemistry is an excellent learning resource for students of organic chemistry, medicine, and biochemistry. The text is ideal as a primary text for courses entitled Advanced Organic Chemistry at the upper undergraduate and graduate levels.

Graphene Science Handbook, Six-Volume Set

Author : Mahmood Aliofkhazraei
Publisher : CRC Press
ISBN 13 : 1466591196
Total Pages : 3379 pages
Book Rating : 4.4/5 (665 download)

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Book Synopsis Graphene Science Handbook, Six-Volume Set by : Mahmood Aliofkhazraei

Download or read book Graphene Science Handbook, Six-Volume Set written by Mahmood Aliofkhazraei and published by CRC Press. This book was released on 2016-04-26 with total page 3379 pages. Available in PDF, EPUB and Kindle. Book excerpt: Graphene is the strongest material ever studied and can be an efficient substitute for silicon. This six-volume handbook focuses on fabrication methods, nanostructure and atomic arrangement, electrical and optical properties, mechanical and chemical properties, size-dependent properties, and applications and industrialization. There is no other major reference work of this scope on the topic of graphene, which is one of the most researched materials of the twenty-first century. The set includes contributions from top researchers in the field and a foreword written by two Nobel laureates in physics. Volumes in the set: K20503 Graphene Science Handbook: Mechanical and Chemical Properties (ISBN: 9781466591233) K20505 Graphene Science Handbook: Fabrication Methods (ISBN: 9781466591271) K20507 Graphene Science Handbook: Electrical and Optical Properties (ISBN: 9781466591318) K20508 Graphene Science Handbook: Applications and Industrialization (ISBN: 9781466591332) K20509 Graphene Science Handbook: Size-Dependent Properties (ISBN: 9781466591356) K20510 Graphene Science Handbook: Nanostructure and Atomic Arrangement (ISBN: 9781466591370)

Graphene Science Handbook

Author : Mahmood Aliofkhazraei
Publisher : CRC Press
ISBN 13 : 1466591242
Total Pages : 532 pages
Book Rating : 4.4/5 (665 download)

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Book Synopsis Graphene Science Handbook by : Mahmood Aliofkhazraei

Download or read book Graphene Science Handbook written by Mahmood Aliofkhazraei and published by CRC Press. This book was released on 2016-04-27 with total page 532 pages. Available in PDF, EPUB and Kindle. Book excerpt: An In-Depth Look at the Outstanding Properties of GrapheneThe Graphene Science Handbook is a six-volume set that describes graphene's special structural, electrical, and chemical properties. The book considers how these properties can be used in different applications (including the development of batteries, fuel cells, photovoltaic cells, and supe

Distance, Symmetry, and Topology in Carbon Nanomaterials

Author : Ali Reza Ashrafi
Publisher : Springer
ISBN 13 : 9783319810706
Total Pages : 0 pages
Book Rating : 4.8/5 (17 download)

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Book Synopsis Distance, Symmetry, and Topology in Carbon Nanomaterials by : Ali Reza Ashrafi

Download or read book Distance, Symmetry, and Topology in Carbon Nanomaterials written by Ali Reza Ashrafi and published by Springer. This book was released on 2018-06-11 with total page 0 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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.