Download or read book Electronic Structure Calculations on Fullerenes and Their Derivatives written by Jerzy Cioslowski and published by Oxford University Press, USA. This book was released on 1995 with total page 310 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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.
Download or read book Physics And Chemistry Of Fullerenes And Derivatives Proceedings Of The International Winterschool On Electronic Properties Of Novel Materials written by Jorg Fink and published by World Scientific. This book was released on 1995-06-30 with total page 608 pages. Available in PDF, EPUB and Kindle. Book excerpt: The year 1995 witnessed the tenth anniversary of the International Winterschools in Kirchberg, Tyrol/Austria. These schools are devoted to the Electronic Properties of Novel Materials, having started with coverage of research on conducting polymers and high temperature superconductors to presently focusing on Fullerene, the newly discovered third allotrope of carbon.This year's proceedings present about ten tutorial and review papers on physics, chemistry, and material science of Fullerene, Fullerene derivatives and nanotubes, as well as bout a hundred research contributions on the latest development in this field including a summary on the assessment of the applications potential of the materials and phenomena which have already evolved from the activities in the past couple of years.
Download or read book Quantum Mechanical Electronic Structure Calculations with Chemical Accuracy written by S. Langhoff and published by Springer Science & Business Media. This book was released on 2012-12-06 with total page 451 pages. Available in PDF, EPUB and Kindle. Book excerpt: The principal focus of this volume is to illustrate the level of accuracy currently achievable by ab initio quantum chemical calculations. While new developments in theory are discussed to some extent, the major emphasis is on a comparison of calculated properties with experiment. This focus is similar to the one taken in a book, Comparison of Ab Initio Quantum Chemistry with Experiment for Small Molecules, edited by Rodney Bartlett (Reidel, 1984). However, the phenomenal improvement in both theoretical methods and computer architecture have made it possible to obtain accurate results for rather large molecular systems. This is perhaps best illustrated in this volume by the chapter entitled `Spectroscopy of Large Organic Molecules' by Bjorn Roos and coworkers. For example, the electronic spectra of the nucleic acid base monomer structures shown on the front cover have been obtained using a fully correlated ab initio study. For researchers, teachers and students in chemistry and physics.
Download or read book Radical Reactions of Fullerenes and their Derivatives written by B.L. Tumanskii and published by Springer Science & Business Media. This book was released on 2006-04-11 with total page 204 pages. Available in PDF, EPUB and Kindle. Book excerpt: The discovery of fullerenes, species belonging to the electronodeficient polyalkenes with weakly conjugated double bonds, has opened novel opportunities for the radical chemistry. Pioneering study in this field was performed by P. J. Krusic, E. Wasserman, P. N. Keizer, J. R. Morton, and K. F. Preston (Science, 1991, 254, 1184). The fullerenyl radical adducts formed via addition of atoms or free radicals to fullerenes have no analogs in organic chemistry. In fact, radicals in which the unpaired electrons are delocalized over the surface of a sphere or ellipsoid have never been studied before. The unusual character of the fullerenyl radicals is also due to the fact that they occupy a sort of intermediate position between the planar and tetrahedral radicals. Thus, the elucidation of the characteristic features of fullerenyl radicals and their reactivity by EPR spectroscopy, and the comparison of the results with those of quantum-chemical studies are of fundamental importance. Isolation of the products from homolytic reactions of fullerenes in bulk amounts opens the door to large-scale preparation of new organic and organoelement derivatives of including biologically active ones. Radical reactions of fullerenes find wide application in the synthesis of fullere- containing polymers with valuable photophysical characteristics. Ferromagnetism of the complex of with tetra(dimethylamino)ethylene found lends impetus to a search of novel methods for preparation of biradicals one unpaired electron of those is located on the fullerene cage while the other retained by the addend.
Download or read book Chemistry and Physics of Fullerenes and Carbon Nanomaterials written by Electrochemical Society. Fullerenes Group and published by The Electrochemical Society. This book was released on 2000 with total page 440 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Buckminsterfullerenes written by W. Edward Billups and published by John Wiley & Sons. This book was released on 1996-12-17 with total page 372 pages. Available in PDF, EPUB and Kindle. Book excerpt: The world's leading experts contribute their expertise to this forthcoming book which presents the most current and comprehensive research on spheroidal carbon clusters (fullerenes) as well as discussing current problems and possible directions in future research.
Download or read book The Physics of Fullerene Based and Fullerene Related Materials written by W. Andreoni and published by Springer Science & Business Media. This book was released on 2012-12-06 with total page 457 pages. Available in PDF, EPUB and Kindle. Book excerpt: Krätschmer and Huffman's revolutionary discovery of a new solid phase of carbon, solid C60, in 1990 opened the way to an entire new class of materials with physical properties so diverse that their richness has not yet been fully exploited. Moreover, as a by-product of fullerene research, carbon nanotubes were later identified, from which novel nanostructures originated that are currently fascinating materials scientists worldwide. Rivers of words have been written on both fullerenes and nanotubes, in the form of journal articles, conference proceedings and books. The present book offers, in a concise and self-contained manner, the basics of the science of these materials as well as detailed information on those aspects that have so far been better explored. Structural, electronic and dynamical properties are described as obtained from various measurements and state-of-the-art calculations. Their interrelation emerges as well as their possible dependence on, for example, preparation conditions or methods of investigation. By presenting and comparing data from different sources, experiment and theory, this book helps the reader to rapidly master the basic knowledge, to grasp important issues and critically discuss them. Ultimately, it aims to inspire him or her to find novel ways to approach still open questions. As such, this book is addressed to new researchers in the field as well as experts.
Download or read book Fullerenes for the New Millennium written by Dirk M. Guldi and published by The Electrochemical Society. This book was released on 2001 with total page 622 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Fullerenes written by Karl M. Kadish and published by John Wiley & Sons. This book was released on 2000-07-06 with total page 986 pages. Available in PDF, EPUB and Kindle. Book excerpt: Fullerene, molekulare "Fu?balle" aus 60 oder mehr Kohlenstoffatomen, sind eine Substanzklasse mit vielversprechenden Zukunftsaussichten, beispielsweise als Halbleiter, als Basis pharmazeutischer Wirkstoffe oder Polymerwerkstoffe. Dieses Buch bietet Ihnen einen aktuellen Uberblick uber das dynamische Forschungsgebiet. Zur Sprache kommen modernste Themen wie Metallofullerene, Nanorohren und organisch funktionalisierte Fullerenverbindungen. (06/00)
Download or read book Fullerens Graphenes and Nanotubes written by Alexandru Mihai Grumezescu and published by William Andrew. This book was released on 2018-05-28 with total page 726 pages. Available in PDF, EPUB and Kindle. Book excerpt: Fullerens, Graphenes and Nanotubes: A Pharmaceutical Approach shows how carbon nanomaterials are used in the pharmaceutical industry. While there are various books on the carbonaceous nanomaterials available on the market, none approach the subject from a pharmaceutical point-of-view. In this context, the book covers different applications of carbonaceous nanomaterials. Chapters examine different types of carbon nanomaterials and explore how they are used in such areas as cancer treatments, pulse sensing and prosthetics. Readers will find this book to be a valuable reference resource for those working in the areas of carbon materials, nanomaterials and pharmaceutical science. - Explains how the unique properties of carbon-based nanomaterials allow them to be used to create effective drug delivery systems - Covers how carbon-based nanomaterials should be prepared for use in pharmaceutical applications - Discusses the relative toxicity of a range of carbon-based nanomaterials - Considers the safety of their use in different types of drugs
Download or read book Handbook of Fullerene Science and Technology written by Xing Lu and published by Springer Nature. This book was released on 2022-09-24 with total page 1029 pages. Available in PDF, EPUB and Kindle. Book excerpt: Nanocarbon chemistry and physics is a fast-developing, broad research area – the Nobel prizes in 1996 and 2010 awarded to two key discoveries in the field, and several other nanocarbon achievements of comparable importance. Owing to this rapid growth, the nanocarbon landscape fundamentally changes every few years, creating a need to survey the field on a regular basis to update the books that have become incomplete or even obsolete. As such, this book focuses on fullerenes and metallofullerenes and also on the related areas of nanotubes and graphenes. All the covered research topics provide important fundamental knowledge for the natural sciences, but also for applications in molecular electronics, superconductivity, catalysis, photovoltaics and medical diagnostics. The current nanocarbon research activities have particularly high application potential in the conversion of solar energy, future molecular memories, non-conventional materials for optoelectronics, and new treatments for civilization diseases. Offering a truly up-to-date critical survey of nanocarbon science, its concepts and highlights, it follows the concept of a handbook: it addresses key topics systematically, from historical background, methodological aspects, current important issues, and application potential, all supplied with extensive referencing. With individual chapters written by leading experts with extensive research experience, it is a comprehensive reference resource for graduate students and active researchers alike.
Download or read book Handbook of Computational Chemistry written by Jerzy Leszczynski and published by Springer Science & Business Media. This book was released on 2012-01-13 with total page 1451 pages. Available in PDF, EPUB and Kindle. Book excerpt: The role the Handbook of Computational Chemistry is threefold. It is primarily intended to be used as a guide that navigates the user through the plethora of computational methods currently in use; it explains their limitations and advantages; and it provides various examples of their important and varied applications. This reference work is presented in three volumes. Volume I introduces the different methods used in computational chemistry. Basic assumptions common to the majority of computational methods based on molecular, quantum, or statistical mechanics are outlined and special attention is paid to the limits of their applicability. Volume II portrays the applications of computational methods to model systems and discusses in detail molecular structures, the modelling of various properties of molecules and chemical reactions. Both ground and excited states properties are covered in the gas phase as well as in solution. This volume also describes Nanomaterials and covers topics such as clusters, periodic, and nano systems. Special emphasis is placed on the environmental effects of nanostructures. Volume III is devoted to the important class of Biomolecules. Useful models of biological systems considered by computational chemists are provided and RNA, DNA and proteins are discussed in detail. This volume presents examples of calcualtions of their properties and interactions and reveals the role of solvents in biologically important reactions as well as the structure function relationship of various classes of Biomolecules.
Download or read book Functionalized Fullerenes written by Electrochemical Society. Fullerenes Group and published by The Electrochemical Society. This book was released on 2000 with total page 292 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Fullerenes and Nanotubes written by Prashant V. Kamat and published by The Electrochemical Society. This book was released on 2003 with total page 632 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Molecular Structure written by Norman L. Allinger and published by John Wiley & Sons. This book was released on 2010-12-15 with total page 356 pages. Available in PDF, EPUB and Kindle. Book excerpt: A guide to analyzing the structures and properties of organic molecules Until recently, the study of organic molecules has traveled down two disparate intellectual paths—the experimental, or physical, method and the computational, or theoretical, method. Working somewhat independently of each other, these disciplines have guided research for decades, but they are now being combined efficiently into one unified strategy. Molecular Structure delivers the essential fundamentals on both the experimental and computational methods, then goes further to show how these approaches can join forces to produce more effective analysis of the structure and properties of organic compounds by: Looking at experimental structures: electron, neutron, X-ray diffraction, and microwave spectroscopy as well as computational structures: ab initio, semi-empirical molecular orbital, and molecular mechanics calculations Discussing various electronic effects, particularly stereoelectronic effects, including hyperconjugation, negative hyperconjugation, the Bohlmann and anomeric effects, and how and why these cause changes in structures and properties of molecules Illustrating complex carbohydrate effects such as the gauche effect, the delta-two effect, and the external anomeric torsional effect Covering hydrogen bonding, the CH bond, and how energies, especially heats of formation, can be affected Using molecular mechanics to tie all of these things together in the familiar language of the organic chemist, valence bond pictures Authored by a founding father of computational chemistry, Molecular Structure broadens the scope of the subject by serving as a pioneering guide for workers in the fields of organic, biological, and computational chemistry, as they explore new possibilities to advance their discoveries. This work will also be of interest to many of those in tangential or dependent fields, including medicinal and pharmaceutical chemistry and pharmacology.
Download or read book The Mathematics and Topology of Fullerenes written by Franco Cataldo and published by Springer Science & Business Media. This book was released on 2011-12-01 with total page 294 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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.
Download or read book Endohedral Fullerenes written by Shangfeng Yang and published by World Scientific. This book was released on 2014 with total page 447 pages. Available in PDF, EPUB and Kindle. Book excerpt: Endohedral fullerenes represent a novel family of carbon nanostructures, which are characterized by a robust fullerene cage with atoms, ions, or clusters trapped in its interior. Since the first separation of the endohedral metallofullerene La@C 82 in 1991, a large variety of endohedral structures have been isolated and their endohedral nature has been proved by experimental studies. Within the past two decades, the world of endohedral fullerenes was significantly enlarged by the clusterfullerenes and the new carbon cages including non-IPR (IPR=isolated pentagon rule) structures. Resulting from the charge transfer from the encaged species to the fullerene cage, endohedral fullerenes hold a lot of fascinating properties inaccessible by the empty fullerenes, and consequently promise potential applications in biomedicine, molecular electronics and photonics etc. The book provides a comprehensive overview of endohedral fullerenes focused on the new advances in the past decade, including its fundamentals (structures), synthesis, isolation, characterization, properties, functionalization as well as the applications, thus representing the most updated and broad review of this exciting field. Sample Chapter(s). Foreword (52 KB). Chapter 1: The Early Days of Metallofullerene Research (457 KB). Contents: Conventional Endohedral Metallofullerenes; Synthesis and Isolation of Endohedral Fullerenes; Structure of Endohedral Fullerenes; Metal Nitride Clusterfullerenes; Metal Carbide Clusterfullerenes; Non-IPR Endohedral Fullerenes; Metal Oxide Clusterfullerenes; Nitrogen Atom-Based Endohedral Fullerenes; Rare Gas Atoms-Based Endohedral Fullerenes; Electrochemical Properties of Endohedral Fullerenes; Chemistry of Endohedral Metallofullerenes; Computational Study of Endohedral Fullerenes; Biomedical Applications of Endohedral Fullerenes; Photovoltaic Applications of Endohedral Fullerenes. Readership: Advanced undergraduates and graduate students, scientists in Chemistry, Physics, and Materials Science, researchers and professionals in the fields of fullerenes and all-carbon nanomaterials, and the general public.
