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Computational Studies Of Structure And Mechanism In Boron Containing Clusters
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Book Synopsis Boron-Based Compounds by : Evamarie Hey-Hawkins
Download or read book Boron-Based Compounds written by Evamarie Hey-Hawkins and published by John Wiley & Sons. This book was released on 2018-07-23 with total page 490 pages. Available in PDF, EPUB and Kindle. Book excerpt: Noted experts review the current status of boron-containing drugs and materials for molecular medical diagnostics Boron-Based Compounds offers a summary of the present status and promotes the further development of new boron-containing drugs and advanced materials, mostly boron clusters, for molecular medical diagnostics. The knowledge accumulated during the past decades on the chemistry and biology of bioorganic and organometallic boron compounds laid the foundation for the emergence of a new area of study and application of boron compounds as lipophilic pharmacophores and modulators of biologically active molecules.This important text brings together in one comprehensive volume contributions from renowned experts in the field of medicinal chemistry of boron compounds. The authors cover a range of the most relevant topics including boron compounds as modulators of the bioactivity of biomolecules, boron clusters as pharmacophores or for drug delivery, boron compounds for boron neutron capture therapy (BNCT) and for diagnostics, as well as in silico molecular modeling of boron- and carborane-containing compounds in drug design. Authoritative and accessible, Boron-Based Compounds: Contains contributions from a panel of internationally renowned experts in the field Offers a concise summary of the current status of boron-containing drugs and materials used for molecular diagnostics Highlights the range and capacity of boron-based compounds in medical applications Includes information on boron neutron capture therapy and diagnostics Designed for academic and industrial scientists, this important resource offers the cutting-edge information needed to understand the current state of boron-containing drugs and materials for molecular medical diagnostics.
Book Synopsis Computational Studies by : Ambrish Kumar Srivastava
Download or read book Computational Studies written by Ambrish Kumar Srivastava and published by CRC Press. This book was released on 2024-08-06 with total page 293 pages. Available in PDF, EPUB and Kindle. Book excerpt: The book covers a diverse range of topics based on computational studies, including modeling and simulations based on quantum chemical studies and molecular dynamics (MD) simulations. It contains quantum chemical studies on several molecules, including biologically relevant molecules and liquid crystals and various aspects of superatomic clusters including superalkalis and superhalogens. It gives an overview of MD simulations and their applications on biomolecular systems such as HIV-1 protease and integrase. Features: Includes first principle methods, density functional theory, as well as molecular dynamics simulations. Explores quantum chemical studies on several molecules. Gives readers an overview of the power of computation. Discusses superatomic clusters, superalkalis, and superhalogens. Covers themes from molecules, clusters, materials, as well as biophysical systems. This book is aimed at researchers and graduate students in materials science and computational and theoretical chemistry.
Book Synopsis Contemporary Boron Chemistry by : Matthew G Davidson
Download or read book Contemporary Boron Chemistry written by Matthew G Davidson and published by Royal Society of Chemistry. This book was released on 2007-10-31 with total page 555 pages. Available in PDF, EPUB and Kindle. Book excerpt: The continued and evolving significance of boron chemistry to the wider chemical community is demonstrated by the international and interdisciplinary nature of the research reported in this book. Contemporary Boron Chemistry encompasses inorganic and organic compounds as well as polymers, solid-state materials, medicinal aspects and theoretical studies. Covering many areas of chemistry with boron at its centre, topics include applications to polyolefin catalysis, medicine, materials and polymers; boron cluster chemistry, including carboranes and metal-containing clusters; organic and inorganic chemistry of species containing only 1 or 2 boron atoms; and theoretical studies of boron-containing compounds. New materials with novel optical and electronic properties are also discussed. Comprehensive and up to date, graduates and researchers in a wide range of fields, particularly those in organometallic and organic chemistry and materials science, will welcome this book.
Book Synopsis Structure and Properties of Clusters: from a few Atoms to Nanoparticles by : George Maroulis
Download or read book Structure and Properties of Clusters: from a few Atoms to Nanoparticles written by George Maroulis and published by CRC Press. This book was released on 2006-10-27 with total page 213 pages. Available in PDF, EPUB and Kindle. Book excerpt: This volume on Clusters brings together contributions from a large number of specialists. A central element for all contributions is the use of advanced computational methodologies and their application to various aspects of structure, reactivity and properties of clusters. The size of clusters varies from a few atoms to nanoparticles. Special emphasis is given to bringing forth new insights on the structure and properties of these systems with an eye towards potential applications in Materials Science. Overal, the volume presents to the readers an amazing wealth of new results. Particular subjects include water clusters, Silicon, Iron, Nickel and Gold clusters, carbon-titanium microclusters and nanoparticles, fullerenes, carbon nanotubes, chiral carbon nanotubes, boron nanoclusters and more.
Book Synopsis Boron Hydrides by : William N. Lipscomb
Download or read book Boron Hydrides written by William N. Lipscomb and published by Courier Corporation. This book was released on 2013-05-13 with total page 347 pages. Available in PDF, EPUB and Kindle. Book excerpt: In this classic monograph, Nobel Prize–winning chemist William N. Lipscomb elucidates his area of expertise: the general structural principles and reactions of boron hydrides and related compounds. Lipscomb's work appeared only a decade after the structures of boron hydrides were first elucidated and their chemistry formulated into a widely applicable framework. His observations led to a major reconsideration of how atoms bond to form stable molecules. A concise treatment of the many separate parts of the structural theory and its relation to chemistry, this volume begins with an overview of boron hydrides and related structures, progressing to three-center bonds and their applications, molecular orbitals, nuclear magnetic resonance studies of boron hydrides and related compounds, and reactions of the boron hydrides. More than 120 diagrams and figures illustrate a variety of structures.
Download or read book Boron written by Drahomír Hnyk and published by Springer. This book was released on 2015-12-17 with total page 247 pages. Available in PDF, EPUB and Kindle. Book excerpt: This multi-author edited volume reviews the recent developments in boron chemistry, with a particular emphasis on the contribution of computational chemistry. The contributors come from Europe, the USA and Asia. About 60% of the book concentrates on theoretical and computational themes whilst 40% is on topics of interest to experimental chemists. Specific themes covered include structure, topology, modelling and prediction, the role of boron clusters in synthetic chemistry and catalysis, as medical agents when acting as inhibitors of HIV protease and carbonic anhydrases.
Book Synopsis Boron Science by : Narayan S. Hosmane
Download or read book Boron Science written by Narayan S. Hosmane and published by CRC Press. This book was released on 2016-04-19 with total page 856 pages. Available in PDF, EPUB and Kindle. Book excerpt: Boron has made a significant impact in our lives through its quiet use in fertilizers, fungicides, soaps, detergents, and heat-resistant glassware. Boron Science: New Technologies and Applications addresses the applications of boron in chemistry, industry, medicine, and pharmacology by explaining its role in problems such as catalysis and hydrobora
Book Synopsis Atomic Clusters with Unusual Structure, Bonding and Reactivity by : Pratim Kumar Chattaraj
Download or read book Atomic Clusters with Unusual Structure, Bonding and Reactivity written by Pratim Kumar Chattaraj and published by Elsevier. This book was released on 2022-10-06 with total page 446 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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
Book Synopsis CRC Concise Encyclopedia of Nanotechnology by : Boris Ildusovich Kharisov
Download or read book CRC Concise Encyclopedia of Nanotechnology written by Boris Ildusovich Kharisov and published by CRC Press. This book was released on 2016-01-06 with total page 1203 pages. Available in PDF, EPUB and Kindle. Book excerpt: The CRC Concise Encyclopedia of Nanotechnology sets the standard against which all other references of this nature are measured. As such, it is a major resource for both skilled professionals and novices to nanotechnology.The book examines the design, application, and utilization of devices, techniques, and technologies critical to research at the
Book Synopsis Scientific and Technical Aerospace Reports by :
Download or read book Scientific and Technical Aerospace Reports written by and published by . This book was released on 1995 with total page 702 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Book Synopsis Emerging Research in Science and Engineering Based on Advanced Experimental and Computational Strategies by : Felipe de Almeida La Porta
Download or read book Emerging Research in Science and Engineering Based on Advanced Experimental and Computational Strategies written by Felipe de Almeida La Porta and published by Springer Nature. This book was released on 2020-01-02 with total page 528 pages. Available in PDF, EPUB and Kindle. Book excerpt: In this book, the authors discuss some of the main challenges and new opportunities in science and engineering research, which involve combining computational and experimental approaches as a promising strategy for arriving at new insights into composition–structure–property relations, even at the nanoscale. From a practical standpoint, the authors show that significant improvements in the material/biomolecular foresight by design, including a fundamental understanding of their physical and chemical properties, are vital and will undoubtedly help us to reach a new technological level in the future.
Book Synopsis Metal Nanocluster Chemistry by : Manzhou Zhu
Download or read book Metal Nanocluster Chemistry written by Manzhou Zhu and published by Elsevier. This book was released on 2023-01-18 with total page 396 pages. Available in PDF, EPUB and Kindle. Book excerpt: Atomically precise metal nanoclusters occupy the gap between discrete atoms and plasmonic nanomaterials, and they offer intriguing physical-chemical properties that can be rationalized in terms of their quantum size effects and discrete electronic states. The atomically precise nature of their structures lends them well to structure-property relationship elucidation, making them particularly useful for informing the rational design of nanoclusters with enhanced performance. Metal Nanocluster Chemistry: Ligand-Protected Metal Nanoclusters With Atomic Precision provides a concise introduction to the study of these useful nanoclusters. Beginning with an introduction to the fundamental concepts of, and prospects for, metal nanoclusters, the book goes on to highlight synthetic methods for controllable preparation. The subsequent chapters then highlight characterization, mechanism of size growth and structure evolution, and physical-chemical properties. Later chapters examine theoretical approaches for calculating and evaluating structures and properties. They also highlight the assembly of nanocluster building blocks and their practical applications. Drawing on the knowledge of its expert author, Metal Nanocluster Chemistry is a useful introductory guide to these exciting structures. - Provides a concise introduction to atomically-precise metal nanoclusters, ranging from characterization and property investigation to applications - Includes insight into both current trends and future potential, encouraging and supporting further development - Holistically combines physical approaches with theoretical calculation methods
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 2008 with total page 348 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Carboranes written by Russell N. Grimes and published by Academic Press. This book was released on 2016-08-09 with total page 1060 pages. Available in PDF, EPUB and Kindle. Book excerpt: Carboranes, Third Edition, by Russell Grimes, is the definitive resource on the subject. Completely updated with a wealth of research and review articles published in this active field since the previous volume was released in 2011, the book provides a readable and concise introduction to the basic principles underlying the synthesis, structures, and reactions of carboranes, heterocarboranes, and metallacarboranes. Following the valuable foundational information, the book explores the advances in practical applications for the many areas in which experts have discovered that carboranes afford new possibilities for solving problems and advancing the science. These disciplines include polymer science, catalysis, biomedicine, nanomaterials, and others. - Winner of a 2017 Textbook Excellence Award (Texty) from the Textbook and Academic Authors Association - Includes over 2,000 molecular structure drawings throughout the text - Features expanded coverage on applications of carboranes, particularly in biomedicine and nanomaterials, given the growth of research in these areas - Presents extended and updated tables, listing thousands of compounds with key literature references, provided online via the book's website - Explores the advances in practical applications for the many areas in which experts have discovered that carboranes afford new possibilities for solving problems and advancing the science
Book Synopsis Molecular Modelling and Synthesis of Nanomaterials by : Ihsan Boustani
Download or read book Molecular Modelling and Synthesis of Nanomaterials written by Ihsan Boustani and published by Springer Nature. This book was released on 2020-07-14 with total page 598 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book presents nanomaterials as predicted by computational modelling and numerical simulation tools, and confirmed by modern experimental techniques. It begins by summarizing basic theoretical methods, then giving both a theoretical and experimental treatment of how alkali metal clusters develop into nanostructures, as influenced by the cluster's "magic number" of atoms. The book continues with a discussion of atomic clusters and nanostructures, focusing primarily on boron and carbon, exploring, in detail, the one-, two-, and three-dimensional structures of boron and carbon, and describing their myriad potential applications in nanotechnology, from nanocoating and nanosensing to nanobatteries with high borophene capacity. The broad discussion of computational modelling as well as the specific applications to boron and carbon, make this book an essential reference resource for materials scientists in this field of research.
Book Synopsis Introduction to Structural Chemistry by : Stepan S. Batsanov
Download or read book Introduction to Structural Chemistry written by Stepan S. Batsanov and published by Springer Science & Business Media. This book was released on 2012-11-29 with total page 548 pages. Available in PDF, EPUB and Kindle. Book excerpt: A concise description of models and quantitative parameters in structural chemistry and their interrelations, with 280 tables and >3000 references giving the most up-to-date experimental data on energy characteristics of atoms, molecules and crystals (ionisation potentials, electron affinities, bond energies, heats of phase transitions, band and lattice energies), optical properties (refractive index, polarisability), spectroscopic characteristics and geometrical parameters (bond distances and angles, coordination numbers) of substances in gaseous, liquid and solid states, in glasses and melts, for various thermodynamic conditions. Systems of metallic, covalent, ionic and van der Waals radii, effective atomic charges and other empirical and semi-empirical models are critically revised. Special attention is given to new and growing areas: structural studies of solids under high pressures and van der Waals molecules in gases. The book is addressed to researchers, academics, postgraduates and advanced-course students in crystallography, materials science, physical chemistry of solids.
Book Synopsis Polyhedral Boranes by : Earl L. Muetterties
Download or read book Polyhedral Boranes written by Earl L. Muetterties and published by Hodder Education. This book was released on 1968 with total page 216 pages. Available in PDF, EPUB and Kindle. Book excerpt:
