Computational Modelling of Molecular Nanomagnets PDF Download
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Author: Gopalan Rajaraman
Publisher: Springer Nature
ISBN: 3031310381
Category :
Languages : en
Pages : 507
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Book Description
Author: Gopalan Rajaraman
Publisher: Springer Nature
ISBN: 3031310381
Category :
Languages : en
Pages : 507
Get Book Here
Book Description
Author: Gopalan Rajaraman
Publisher: Springer
ISBN: 9783031310409
Category : Science
Languages : en
Pages : 0
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Book Description
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.
Author: Dante Gatteschi
Publisher: OUP Oxford
ISBN: 0191620858
Category : Science
Languages : en
Pages : 502
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Book Description
Nanomagnetism is a rapidly expanding area of research which appears to be able to provide novel applications. Magnetic molecules are at the very bottom of the possible size of nanomagnets and they provide a unique opportunity to observe the coexistence of classical and quantum properties. The discovery in the early 90's that a cluster comprising twelve manganese ions shows hysteresis of molecular origin, and later proved evidence of quantum effects, opened a new research area which is still flourishing through the collaboration of chemists and physicists. This book is the first attempt to cover in detail the new area of molecular nanomagnetism, for which no other book is available. In fact research and review articles, and book chapters are the only tools available for newcomers and the experts in the field. It is written by the chemists originators and by a theorist who has been one of the protagonists of the development of the field, and is explicitly addressed to an audience of chemists and physicists, aiming to use a language suitable for the two communities.
Author: Song Gao
Publisher: Springer
ISBN: 3662457237
Category : Science
Languages : en
Pages : 468
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Book Description
The series Structure and Bonding publishes critical reviews on topics of research concerned with chemical structure and bonding. The scope of the series spans the entire Periodic Table and addresses structure and bonding issues associated with all of the elements. It also focuses attention on new and developing areas of modern structural and theoretical chemistry such as nanostructures, molecular electronics, designed molecular solids, surfaces, metal clusters and supramolecular structures. Physical and spectroscopic techniques used to determine, examine and model structures fall within the purview of Structure and Bonding to the extent that the focus is on the scientific results obtained and not on specialist information concerning the techniques themselves. Issues associated with the development of bonding models and generalizations that illuminate the reactivity pathways and rates of chemical processes are also relevant. The individual volumes in the series are thematic. The goal of each volume is to give the reader, whether at a university or in industry, a comprehensive overview of an area where new insights are emerging that are of interest to a larger scientific audience. Thus each review within the volume critically surveys one aspect of that topic and places it within the context of the volume as a whole. The most significant developments of the last 5 to 10 years should be presented using selected examples to illustrate the principles discussed. A description of the physical basis of the experimental techniques that have been used to provide the primary data may also be appropriate, if it has not been covered in detail elsewhere. The coverage need not be exhaustive in data, but should rather be conceptual, concentrating on the new principles being developed that will allow the reader, who is not a specialist in the area covered, to understand the data presented. Discussion of possible future research directions in the area is welcomed. Review articles for the individual volumes are invited by the volume editors. Readership: research scientists at universities or in industry, graduate students Special offer for all customers who have a standing order to the print version of Structure and Bonding, we offer free access to the electronic volumes of the Series published in the current year via SpringerLink.
Author: Andrew G. Mercader
Publisher: CRC Press
ISBN: 1482214261
Category : Science
Languages : en
Pages : 473
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Book Description
This book provides innovative chapters covering new methodologies and important applications in the fields of nanoscience and computational chemistry. The book offers scope for academics, researchers, and engineering professionals to present their research and development works that have potential for applications in several disciplines of nano and
Author: Richard A. Layfield
Publisher: John Wiley & Sons
ISBN: 3527335269
Category : Science
Languages : en
Pages : 366
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Book Description
The first reference on this rapidly growing topic provides an essential up-to-date guide to current and emerging trends. A group of international experts has been carefully selected by the editors to cover all the central aspects, with a focus on molecular species while also including industrial applications. The resulting unique overview is a must-have for researchers, both in academia and industry, who are entering or already working in the field.
Author: Dante Gatteschi
Publisher: Oxford University Press on Demand
ISBN: 0198567537
Category : Medical
Languages : en
Pages : 408
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Book Description
Molecular nanomagnetism is a research area of interest to chemists and physicists who want to discover the beauty of the molecular world and its potentialities to give new classes of magnetic materials. This book is ideal for researchers, PhD students and post docs in magnetism, solid state physics, and molecular chemistry.
Author: Martin Wirsing
Publisher: Springer
ISBN: 3540894373
Category : Computers
Languages : en
Pages : 275
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Book Description
This volume presents results of three workshops of the InterLink working group, setup by the EU to look at software-intensive systems and novel computing paradigms. It covers ensemble engineering, theory and formal methods, and novel computing paradigms.
Author: Roman Wyrzykowski
Publisher: Springer
ISBN: 3642551955
Category : Computers
Languages : en
Pages : 785
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Book Description
This two-volume-set (LNCS 8384 and 8385) constitutes the refereed proceedings of the 10th International Conference of Parallel Processing and Applied Mathematics, PPAM 2013, held in Warsaw, Poland, in September 2013. The 143 revised full papers presented in both volumes were carefully reviewed and selected from numerous submissions. The papers cover important fields of parallel/distributed/cloud computing and applied mathematics, such as numerical algorithms and parallel scientific computing; parallel non-numerical algorithms; tools and environments for parallel/distributed/cloud computing; applications of parallel computing; applied mathematics, evolutionary computing and metaheuristics.
Author:
Publisher: Elsevier
ISBN: 0128138416
Category : Technology & Engineering
Languages : en
Pages : 492
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Book Description
Lanthanide-Based Multifunctional Materials: From OLEDs to SIMs serves as a comprehensive and state-of the art review on these promising compounds, delivering a panorama of their extensive and rapidly growing applications. After an introductory chapter on the theoretical description of the optical and magnetic behaviour of lanthanides and on the prediction of their properties by ab-initio methods, four chapters are devoted to lanthanide-based OLEDs, including the latest trends in visible emitters, the emerging field of near infrared emitters and the first achievements attained in the field of chiral OLEDs. The use of lanthanide complexes as molecular magnets spreads over another two chapters, which explain the evolution of 4f-elements-based SIMs and the most recent advances in heterometallic 3d–4f SMMs. Other very active research areas are covered in the remaining five chapters, dedicated to lanthanide-doped germanate and tellurite glasses, luminescent materials for up-conversion, luminescent thermosensors, multimodal imaging and therapeutic agents, and chemosensors. The book is aimed at academic and industrial researchers, undergraduates and postgraduates alike, and is of particular interest for the Materials Science, Applied Physics and Applied Chemistry communities. - Includes the latest progress on lanthanide-based materials and their applications (in OLEDs, SIMs, doped matrices, up-conversion, thermosensors, theragnostics and chemosensors) - Presents basic and applied aspects of the Physics and Chemistry of lanthanide compounds, as well as future lines of action - Covers successful examples of devices and proofs-of-concept and provides guidelines for the rational design of new materials
