Dft Based Studies On Atomic Clusters
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Dft Based Studies On Atomic Clusters
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Author : Ambrish Kumar Srivastava
language : en
Publisher: Bentham Science Publishers
Release Date : 2024-09-03
Dft Based Studies On Atomic Clusters written by Ambrish Kumar Srivastava and has been published by Bentham Science Publishers this book supported file pdf, txt, epub, kindle and other format this book has been release on 2024-09-03 with Science categories.
DFT-Based Studies On Atomic Clusters explores the structures, properties, and applications of a variety of atomic clusters using density functional theory (DFT) methods to offer a simple and comprehensive explanation of the subject. The book is organized into seven chapters. Chapter 1 introduces atomic clusters and provides a quick survey of density functional theory and its role in the study of atomic clusters. Chapter 2 discusses the optimization of atomic clusters using various algorithms. Chapters 3, 4, and 5 cover the applications of DFT methods on chemical interactions involving metal complexes and ions. Chapter 6 is devoted exclusively to molecular clusters for completeness. Chapter 7 concludes the book and provides a perspective on future directions on the subject. Theoretical and practical concepts of DFT methods of the book are systematically and concisely presented with the help of clear language. Several illustrations in the form of graphics and tables are included for the benefit of readers. This reference is intended as a guide for advanced graduate and doctorate level scholars, postdoctoral researchers, and faculty members who are required to understand the application of density functional theory for explaining the properties of atomic clusters as part of foundational coursework or supplementary reading.
Dft Based Studies On Atomic Clusters
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Author : Ambrish Kumar Srivastava
language : en
Publisher:
Release Date : 2024
Dft Based Studies On Atomic Clusters written by Ambrish Kumar Srivastava and has been published by this book supported file pdf, txt, epub, kindle and other format this book has been release on 2024 with categories.
Atomic Clusters Theory Experiments
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Author : Ambrish Kumar Srivastava
language : en
Publisher: Frontiers Media SA
Release Date : 2022-01-03
Atomic Clusters Theory Experiments written by Ambrish Kumar Srivastava and has been published by Frontiers Media SA this book supported file pdf, txt, epub, kindle and other format this book has been release on 2022-01-03 with Science categories.
Nanoalloys
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Author : Dominique Bazin
language : en
Publisher: Elsevier Inc. Chapters
Release Date : 2013-03-12
Nanoalloys written by Dominique Bazin and has been published by Elsevier Inc. Chapters this book supported file pdf, txt, epub, kindle and other format this book has been release on 2013-03-12 with Technology & Engineering categories.
Fundamentals Of Low Dimensional Magnets
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Author : Ram K. Gupta
language : en
Publisher: CRC Press
Release Date : 2022-08-29
Fundamentals Of Low Dimensional Magnets written by Ram K. Gupta and has been published by CRC Press this book supported file pdf, txt, epub, kindle and other format this book has been release on 2022-08-29 with Science categories.
A low-dimensional magnet is a key to the next generation of electronic devices. In some respects, low-dimensional magnets refer to nanomagnets (nanostructured magnets) or single-molecule magnets (molecular nanomagnets). They also include the group of magnetic nanoparticles, which have been widely used in biomedicine, technology, industries, and environmental remediation. Low-dimensional magnetic materials can be used effectively in the future in powerful computers (hard drives, magnetic random-access memory, ultra-low power consumption switches, etc.). The properties of these materials largely depend on the doping level, phase, defects, and morphology. This book covers various nanomagnets and magnetic materials. The basic concepts, various synthetic approaches, characterizations, and mathematical understanding of nanomaterials are provided. Some fundamental applications of 1D, 2D, and 3D materials are covered. This book provides the fundamentals of low-dimensional magnets along with synthesis, theories, structure-property relations, and applications of ferromagnetic nanomaterials. This book broadens our fundamental understanding of ferromagnetism and mechanisms for realization and advancement in devices with improved energy efficiency and high storage capacity.
Biotechnology Agriculture Environment And Energy
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Author : Fangli Zheng
language : en
Publisher: CRC Press
Release Date : 2014-11-18
Biotechnology Agriculture Environment And Energy written by Fangli Zheng and has been published by CRC Press this book supported file pdf, txt, epub, kindle and other format this book has been release on 2014-11-18 with Nature categories.
The 2014 International Conference on Biotechnology, Agriculture, Environment and Energy (ICBAEE 2014) was held May 22-23, 2014 in Beijing, China. The objective of ICBAEE 2014 was to provide a platform for researchers, engineers, academics as well as industry professionals from all over the world to present their research results and development activities in Biotechnology, Agriculture, Environment and Energy. This conference provided opportunities for the delegates to exchange new ideas and application experiences face to face, to establish business or research relations and to find global partners for future collaboration. The program consisted of invited sessions and technical workshops and discussions with eminent speakers, and contributions to this proceedings volume cover a wide range of topics in Biotechnology, Agriculture, Environment and Energy.
Atomic Clusters With Unusual Structure Bonding And Reactivity
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Author : Pratim Kumar Chattaraj
language : en
Publisher: Elsevier
Release Date : 2022-10-06
Atomic Clusters With Unusual Structure Bonding And Reactivity written by Pratim Kumar Chattaraj and has been published by Elsevier this book supported file pdf, txt, epub, kindle and other format this book has been release on 2022-10-06 with Science categories.
Atomic Clusters with Unusual Structure, Bonding and Reactivity: Theoretical Approaches, Computational Assessment and Applications reviews the latest computational tools and approaches available for accurately assessing the properties of a cluster, while also highlighting how such clusters can be adapted and utilized for the development of novel materials and applications. Sections provide an introduction to the computational methods used to obtain global minima for clusters and effectively analyze bonds, outline experimental approaches to produce clusters, discuss specific applications, and explore cluster reactivity and usage across a number of fields.Drawing on the knowledge of its expert editors and contributors, this book provides a detailed guide to ascertaining the stability, bonding and properties of atomic clusters. Atomic clusters, which exhibit unusual properties, offer huge potential as building blocks for new materials and novel applications, but understanding their properties, stability and bonding is essential in order to accurately understand, characterize and manipulate them for further use. Searching for the most stable geometry of a given cluster is difficult and becomes even more so for clusters of medium and large sizes, where the number of possible isomers sharply increase, hence this book provides a unique and comprehensive approach to the topic and available techniques and applications. - Introduces readers to the vast structural and bonding diversity that clusters show and reflects on their potential for novel application and material development - Highlights the latest computational methods and theoretical tools available for identification of the most stable isomers and accurate analysis of bonding in the clusters - Focuses on clusters which violate the rules established in traditional chemistry and exhibit unusual structure, bonding and reactivity
Latest Advances In Atomic Cluster Collisions
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Author : Andrey Solov'Yov
language : en
Publisher: Imperial College Press
Release Date : 2008
Latest Advances In Atomic Cluster Collisions written by Andrey Solov'Yov and has been published by Imperial College Press this book supported file pdf, txt, epub, kindle and other format this book has been release on 2008 with Science categories.
This book presents a OC snapshotOCO of the most recent and significant advances in the field of cluster physics. It is a comprehensive review based on contributions by the participants of the 2nd International Symposium on Atomic Cluster Collisions (ISACC 2007) held in July 19OCo23, 2007 at GSI, Darmstadt, Germany. The purpose of the Symposium is to promote the growth and exhange of scientific information on the structure and properties of nuclear, atomic, molecular, biological and complex cluster systems studied by means of photonic, electronic, heavy particle and atomic collisions. Particular attention is devoted to dynamic phenomena, many-body effects taking place in cluster systems of a different nature OCo these include problems of fusion and fission, fragmentation, collective electron excitations, phase transitions, etc. Both the experimental and theoretical aspects of cluster physics, uniquely placed between nuclear physics on the one hand and atomic, molecular and solid state physics on the other, are discussed.
Fullerene Based Materials
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Author : Kosmas Prassides
language : en
Publisher: Springer Science & Business Media
Release Date : 2004-04-26
Fullerene Based Materials written by Kosmas Prassides and has been published by Springer Science & Business Media this book supported file pdf, txt, epub, kindle and other format this book has been release on 2004-04-26 with Science categories.
with contributions by numerous experts
Conceptual Density Functional Theory And Its Application In The Chemical Domain
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Author : Nazmul Islam
language : en
Publisher: CRC Press
Release Date : 2018-06-13
Conceptual Density Functional Theory And Its Application In The Chemical Domain written by Nazmul Islam and has been published by CRC Press this book supported file pdf, txt, epub, kindle and other format this book has been release on 2018-06-13 with Mathematics categories.
In this book, new developments based on conceptual density functional theory (CDFT) and its applications in chemistry are discussed. It also includes discussion of some applications in corrosion and conductivity and synthesis studies based on CDFT. The electronic structure principles—such as the electronegativity equalization principle, the hardness equalization principle, the electrophilicity equalization principle, and the nucleophilicity equalization principle, along studies based on these electronic structure principles—are broadly explained. In recent years some novel methodologies have been developed in the field of CDFT. These methodologies have been used to explore mutual relationships between the descriptors of CDFT, namely electronegativity, hardness, etc. The mutual relationship between the electronegativity and the hardness depend on the electronic configuration of the neutral atomic species. The volume attempts to cover almost all such methodology. Conceptual Density Function Theory and Its Application in the Chemical Domain will be an appropriate guide for research students as well as the supervisors in PhD programs. It will also be valuable resource for inorganic chemists, physical chemists, and quantum chemists. The reviews, research articles, short communications, etc., covered by this book will be appreciated by theoreticians as well as experimentalists.