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Theoretical And Computational Aspects Of Magnetic Organic Molecules
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Book Synopsis Theoretical and Computational Aspects of Magnetic Organic Molecules by : Sambhu N. Datta
Download or read book Theoretical and Computational Aspects of Magnetic Organic Molecules written by Sambhu N. Datta and published by World Scientific. This book was released on 2014 with total page 346 pages. Available in PDF, EPUB and Kindle. Book excerpt: Organic materials with extraordinary magnetic properties promise a wide range of light, flexible, and inexpensive alternatives to familiar metal-based magnets. Individual organic molecules with high magnetic moments will be the foundation for design and fabrication of these materials. This book provides a systematic understanding of the structure and properties of organic magnetic molecules. After a summary of the phenomenon of magnetism at the molecular level, it presents a survey of the challenges to theoretical description and evaluation of the magnetic character of open-shell molecules, and an overview of recently developed methods and their successes and shortfalls. Several fields of application, including very strong organic molecular magnets and photo-magnetic switches, are surveyed. Finally, discussions on metal-based materials and simultaneously semiconducting and ferromagnetic extended systems and solids point the way toward future advances. The reader will find a comprehensive discourse on current understanding of magnetic molecules, a thorough survey of computational methods of characterizing known and imagined molecules, simple rules for design of larger magnetic systems, and a guide to opportunities for progress toward organic magnets.
Book Synopsis Magnetic Interactions in Molecules and Solids by : Coen de Graaf
Download or read book Magnetic Interactions in Molecules and Solids written by Coen de Graaf and published by Springer. This book was released on 2015-09-04 with total page 246 pages. Available in PDF, EPUB and Kindle. Book excerpt: This textbook is the second volume in the Theoretical Chemistry and Computational Modeling series and aims to explain the theoretical basis of magnetic interactions at a level that will be useful for master students in physical, inorganic and organic chemistry. The book gives a treatment of magnetic interactions in terms of the phenomenological spin Hamiltonians that have been such powerful tools for chemistry and physics in the past half century, starting from the simple Heisenberg and Ising Hamiltonians and ending with Hamiltonians that include biquadratic, cyclic or anisotropic exchange. On the other hand, it also explains how quantum chemical methods, reaching from simple mean field methods to accurate models that include the effects of electron correlation and spin-orbit coupling, can help to understand the magnetic properties. Connecting the two perspectives is an essential aspect of the book, since it leads to a deeper understanding of the relation between physical phenomena and basic properties. It also makes clear that in many cases one can derive magnetic coupling parameters not only from experiment, but also from accurate ab initio calculations. The book starts with introducing a selection of basic concepts and tools. Throughout the book the text is interlarded with exercises, stimulating the students to not only read but also verify the assertions and perform (parts of) the derivations by themselves. In addition, each chapter ends with a number of problems that can be used to check whether the material has been understood.
Book Synopsis Synthon Model of Organic Chemistry and Synthesis Design by : Jaroslav Koca
Download or read book Synthon Model of Organic Chemistry and Synthesis Design written by Jaroslav Koca and published by Springer Science & Business Media. This book was released on 2012-12-06 with total page 216 pages. Available in PDF, EPUB and Kindle. Book excerpt: One of the most interesting fields of mathematically oriented chemical research is the so-called computer-assisted organic synthesis design. These lecture notes elaborate the mathematical model of organic chemistry, which offers formal concepts for unambiguous description of computer algorithms for organic synthesis design including retrosynthesis and reaction mechanisms. All definitions and theorems are supplemented by many illustrative examples. The model is closely related to the course of thinking of organic chemists. These notes will be useful for all theoretically oriented organic chemists who are interested in mathematical modelling of organic chemistry and computer-assisted organic synthesis design.
Book Synopsis Computational Modelling of Molecular Nanomagnets by : Gopalan Rajaraman
Download or read book Computational Modelling of Molecular Nanomagnets written by Gopalan Rajaraman and published by Springer. This book was released on 2023-08-08 with total page 0 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book summarizes the state-of-the-art advances in the area of computational modelling of molecule-based magnets. Nowadays, various computational tools based on DFT, ab initio methods and other techniques are gaining attention in molecular nanomagnets and are successfully used to solve several outstanding problems in this area. This contributed volume discusses the theoretical foundation of the modelling of molecular magnets, starting from fitting the experimental magnetic data of very large molecules to the theory of pseudo-spin Hamiltonian approach and spin-phonon relaxations mechanisms, while it also presents examples of contemporary applications of both transition metal and lanthanide molecular magnets. In addition, the transport characteristics of molecules when placed at an interface and how these assemble on surfaces are also reviewed. This book is a great tool for researchers working in the fields of molecular magnetism and computational/theoretical chemistry and will also benefit graduate students specializing in physical-inorganic chemistry and molecular modelling. Chapter 6 is available open access under a Creative Commons Attribution 4.0 International License via link.springer.com.
Book Synopsis Journal of Nanoscience and Nanotechnology by :
Download or read book Journal of Nanoscience and Nanotechnology written by and published by . This book was released on 2002 with total page 832 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Book Synopsis American Doctoral Dissertations by :
Download or read book American Doctoral Dissertations written by and published by . This book was released on 1982 with total page 564 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Book Synopsis Intermolecular Forces and Their Evaluation by Perturbation Theory by : P. Arrighini
Download or read book Intermolecular Forces and Their Evaluation by Perturbation Theory written by P. Arrighini and published by Springer. This book was released on 1981-09 with total page 268 pages. Available in PDF, EPUB and Kindle. Book excerpt: The aim of these notes is to offer a modern picture of the pertur bative approach to the calculation of intermolecular forces. The point of view taken is that a perturbative series truncated at a low order can provide a valuable way for ~valuating interaction energies, especial ly if one limits oneself to the case of intermediate- and long-range distances between the interacting partners. Although the situation corresponding to short distances is essen tially left out from our presentation, the problems which are within the range of the theory form a vast and important class: a large var iety of phenomena of matter, in fact, depends on the existence of in teractions among atoms or molecules, which over a substantial range of distances should be classified as weak in comparison to the interactions occurring inside atoms or molecules. We are aware of the omission of some topics, which in principle could have been included in our review. For instance, a very scarce at tention has been paid to the analysis of problems involving interacting partners in degenerate states, which is of particular relevance in the case of interactions between excited atoms (only a rather quick presen tation of the formal apparatus of degenerate perturbation theory is in cluded in Chap. III). Interactions involving the simultaneous presence of more than two atoms (or mOlecules) have not been considered, with the consequent non-necessity of considering nonadditive effects which characterize the general N-body problem.
Book Synopsis Graduate Programs in the Physical Sciences and Mathematics by :
Download or read book Graduate Programs in the Physical Sciences and Mathematics written by and published by . This book was released on 1987 with total page 708 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Book Synopsis Perspectives in Theoretical Stereochemistry by : Ivar Ugi
Download or read book Perspectives in Theoretical Stereochemistry written by Ivar Ugi and published by Springer. This book was released on 1984 with total page 296 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Book Synopsis Index to Theses with Abstracts Accepted for Higher Degrees by the Universities of Great Britain and Ireland and the Council for National Academic Awards by :
Download or read book Index to Theses with Abstracts Accepted for Higher Degrees by the Universities of Great Britain and Ireland and the Council for National Academic Awards written by and published by . This book was released on 2007 with total page 362 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Book Synopsis Organic Chemistry by : Waldemar Adam
Download or read book Organic Chemistry written by Waldemar Adam and published by Springer. This book was released on 1981 with total page 184 pages. Available in PDF, EPUB and Kindle. Book excerpt:
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Book Synopsis Supercomputer Research in Chemistry and Chemical Engineering by : Klavs F. Jensen
Download or read book Supercomputer Research in Chemistry and Chemical Engineering written by Klavs F. Jensen and published by . This book was released on 1987 with total page 456 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Book Synopsis Graduate Programs in the Physical Sciences, Mathematics, Agricultural Sciences, the Environment, and Natural Resources 2009 by : Peterson's
Download or read book Graduate Programs in the Physical Sciences, Mathematics, Agricultural Sciences, the Environment, and Natural Resources 2009 written by Peterson's and published by Peterson Nelnet Company. This book was released on 2007-11 with total page 776 pages. Available in PDF, EPUB and Kindle. Book excerpt: The six volumes of Peterson's Annual Guides to Graduate Study, the only annually updated reference work of its kind, provide wide-ranging information on the graduate and professional programs offered by accredited colleges and universities in the United States and U.S. territories and those in Canada, Mexico, Europe, and Africa that are accredited by U.S. accrediting bodies. Books 2 through 6 are divided into sections that contain one or more directories devoted to individual programs in a particular field. Book 4 contains more than 3,800 programs of study in 56 disciplines of the physical sciences, mathematics, agricultural sciences, the environment, and natural resources.
Book Synopsis Government Reports Announcements & Index by :
Download or read book Government Reports Announcements & Index written by and published by . This book was released on 1994-12 with total page 1302 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Book Synopsis Bibliography of Scientific and Industrial Reports by :
Download or read book Bibliography of Scientific and Industrial Reports written by and published by . This book was released on 1964 with total page 1420 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Book Synopsis U.S. Government Research and Development Reports by :
Download or read book U.S. Government Research and Development Reports written by and published by . This book was released on 1963 with total page pages. Available in PDF, EPUB and Kindle. Book excerpt:
