Computational Modelling Of Molecular Nanomagnets

Author : Gopalan Rajaraman
Publisher : Springer
ISBN 13 : 9783031310379
Total Pages : 0 pages
Book Rating : 4.73/5 ( download)

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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.

Author : Gopalan Rajaraman
Publisher : Springer Nature
ISBN 13 : 3031310381
Total Pages : 507 pages
Book Rating : 4.86/5 ( download)

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Download or read book Computational Modelling of Molecular Nanomagnets written by Gopalan Rajaraman and published by Springer Nature. This book was released on with total page 507 pages. Available in PDF, EPUB and Kindle. Book excerpt:

Author : Heike C. Herper
Publisher : Springer Nature
ISBN 13 : 9811537194
Total Pages : 83 pages
Book Rating : 4.96/5 ( download)

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Download or read book Molecular Nanomagnets written by Heike C. Herper and published by Springer Nature. This book was released on 2020-03-28 with total page 83 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book focuses on 3d transition metal centered phthalocyanine molecules and their deposition on different substrates. Phthalocyanines are an ideal prototype since they can be grown flat on many surfaces. It highlights the molecule-substrate interaction and its influence on the magnetic and spectroscopic properties of the molecules as well as the influence of ligands — reviewing both experiential and theoretical data. Since experimental setups differ and approximations in theory vary and can influence the result, a substantial part is dedicated to a thorough discussion of the different experimental and computational methods from the point of view of reliability and predictive power.

Author : Dante Gatteschi
Publisher : Oxford University Press on Demand
ISBN 13 : 0198567537
Total Pages : 408 pages
Book Rating : 4.30/5 ( download)

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Download or read book Molecular Nanomagnets written by Dante Gatteschi and published by Oxford University Press on Demand. This book was released on 2006-03-02 with total page 408 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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 : Stefan T. Bromley
Publisher : Elsevier
ISBN 13 : 0081022751
Total Pages : 351 pages
Book Rating : 4.57/5 ( download)

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Download or read book Computational Modelling of Nanoparticles written by Stefan T. Bromley and published by Elsevier. This book was released on 2018-09-12 with total page 351 pages. Available in PDF, EPUB and Kindle. Book excerpt: Computational Modelling of Nanoparticles highlights recent advances in the power and versatility of computational modelling, experimental techniques, and how new progress has opened the door to a more detailed and comprehensive understanding of the world of nanomaterials. Nanoparticles, having dimensions of 100 nanometers or less, are increasingly being used in applications in medicine, materials and manufacturing, and energy. Spanning the smallest sub-nanometer nanoclusters to nanocrystals with diameters of 10s of nanometers, this book provides a state-of-the-art overview on how computational modelling can provide, often otherwise unobtainable, insights into nanoparticulate structure and properties. This comprehensive, single resource is ideal for researchers who want to start/improve their nanoparticle modelling efforts, learn what can be (and what cannot) achieved with computational modelling, and understand more clearly the value and details of computational modelling efforts in their area of research. Explores how computational modelling can be successfully applied at the nanoscale level Includes techniques for the computation modelling of different types of nanoclusters, including nanoalloy clusters, fullerines and Ligated and/or solvated nanoclusters Offers complete coverage of the use of computational modelling at the nanoscale, from characterization and processing, to applications

Author :
Publisher :
ISBN 13 : 9814464023
Total Pages : pages
Book Rating : 4.24/5 ( download)

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Download or read book Molecular Cluster Magnets written by and published by . This book was released on with total page pages. Available in PDF, EPUB and Kindle. Book excerpt:

Author : Song Gao
Publisher : Springer
ISBN 13 : 3662457237
Total Pages : 468 pages
Book Rating : 4.38/5 ( download)

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Download or read book Molecular Nanomagnets and Related Phenomena written by Song Gao and published by Springer. This book was released on 2015-02-20 with total page 468 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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 : Sarhan M. Musa
Publisher : CRC Press
ISBN 13 : 1439841772
Total Pages : 537 pages
Book Rating : 4.78/5 ( download)

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Download or read book Computational Nanotechnology written by Sarhan M. Musa and published by CRC Press. This book was released on 2018-09-03 with total page 537 pages. Available in PDF, EPUB and Kindle. Book excerpt: Applications of nanotechnology continue to fuel significant innovations in areas ranging from electronics, microcomputing, and biotechnology to medicine, consumer supplies, aerospace, and energy production. As progress in nanoscale science and engineering leads to the continued development of advanced materials and new devices, improved methods of modeling and simulation are required to achieve a more robust quantitative understanding of matter at the nanoscale. Computational Nanotechnology: Modeling and Applications with MATLAB® provides expert insights into current and emerging methods, opportunities, and challenges associated with the computational techniques involved in nanoscale research. Written by, and for, those working in the interdisciplinary fields that comprise nanotechnology—including engineering, physics, chemistry, biology, and medicine—this book covers a broad spectrum of technical information, research ideas, and practical knowledge. It presents an introduction to computational methods in nanotechnology, including a closer look at the theory and modeling of two important nanoscale systems: molecular magnets and semiconductor quantum dots. Topics covered include: Modeling of nanoparticles and complex nano and MEMS systems Theory associated with micromagnetics Surface modeling of thin films Computational techniques used to validate hypotheses that may not be accessible through traditional experimentation Simulation methods for various nanotubes and modeling of carbon nanotube and silicon nanowire transistors In regard to applications of computational nanotechnology in biology, contributors describe tracking of nanoscale structures in cells, effects of various forces on cellular behavior, and use of protein-coated gold nanoparticles to better understand protein-associated nanomaterials. Emphasizing the importance of MATLAB for biological simulations in nanomedicine, this wide-ranging survey of computational nanotechnology concludes by discussing future directions in the field, highlighting the importance of the algorithms, modeling software, and computational tools in the development of efficient nanoscale systems.

Author : Andrew G. Mercader
Publisher : CRC Press
ISBN 13 : 1482214261
Total Pages : 488 pages
Book Rating : 4.60/5 ( download)

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Download or read book Nanoscience and Computational Chemistry written by Andrew G. Mercader and published by CRC Press. This book was released on 2013-11-23 with total page 488 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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 computational chemistry. Contributions range from new methods to novel applications of existing methods to help readers gain an understanding of the material and/or structural behavior of new and advanced systems. This book is a high quality tool for researchers, providing an overview of the field, explaining the basic underlying theory at a meaningful level, and giving numerous comparisons of different methods.

Author : Richard Winpenny
Publisher : World Scientific
ISBN 13 : 9814322954
Total Pages : 312 pages
Book Rating : 4.59/5 ( download)

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Download or read book Molecular Cluster Magnets written by Richard Winpenny and published by World Scientific. This book was released on 2012 with total page 312 pages. Available in PDF, EPUB and Kindle. Book excerpt: This work covers new developments in the field of molecular nanomagnetism, complementing previous books in this area (for example the volume by Gatteschi, Sessoli and Villain on Single Molecule Magnets). The book is written by experts in the field and is intended as a compilation of critical reviews of new areas rather than a comprehensive text.