Theoretical and Quantum Chemistry at the Dawn of the 21st Century PDF Download
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Author: Tanmoy Chakraborty
Publisher: CRC Press
ISBN: 1351170945
Category : Science
Languages : en
Pages : 635
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Book Description
This volume, edited by a well-known specialist in the field of theoretical chemistry, gathers together a selection of papers on theoretical chemistry within the themes of mathematical, computational, and quantum chemistry. The authors present a rich assembly of some of the most important current research in the field of quantum chemistry in modern times. In Quantum Chemistry at the Dawn of the 21st Century, the editors aim to replicate the tradition of the fruitful Girona Workshops and Seminars, held at the University of Girona, Italy, annually for many years, which offered important scientific gatherings focusing on quantum chemistry. This volume, like the workshops, showcases a large variety of quantum chemical contributions from different points of view from some of the leading scientists in the field today. This unique volume does not pretend to provide a complete overview of quantum chemistry, but it does provide a broad set of contributions by some of the leading scientists on the field, under the expert editorship of two leaders in the field.
Author: Tanmoy Chakraborty
Publisher: CRC Press
ISBN: 1351170945
Category : Science
Languages : en
Pages : 635
Get Book Here
Book Description
This volume, edited by a well-known specialist in the field of theoretical chemistry, gathers together a selection of papers on theoretical chemistry within the themes of mathematical, computational, and quantum chemistry. The authors present a rich assembly of some of the most important current research in the field of quantum chemistry in modern times. In Quantum Chemistry at the Dawn of the 21st Century, the editors aim to replicate the tradition of the fruitful Girona Workshops and Seminars, held at the University of Girona, Italy, annually for many years, which offered important scientific gatherings focusing on quantum chemistry. This volume, like the workshops, showcases a large variety of quantum chemical contributions from different points of view from some of the leading scientists in the field today. This unique volume does not pretend to provide a complete overview of quantum chemistry, but it does provide a broad set of contributions by some of the leading scientists on the field, under the expert editorship of two leaders in the field.
Author: Lionello Pogliani
Publisher: CRC Press
ISBN: 1000775666
Category : Technology & Engineering
Languages : en
Pages : 324
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Book Description
This new volume highlights the emergence and rapid development of nanotechnology-enhanced solid materials and the ways they have impacted almost every aspect of nanoengineering. The chapters explore the role of nanomaterials in industries in diverse applications, such as for insulation and reinforcement of composite materials. The book focuses on the design, synthesis, and properties of solid materials, presenting updated, practical, and systematic knowledge on the modification of nanomaterials. The topics include photovoltaic applications of solid carbons, mesoporous silica nanomaterials, smart biopolymer composites and polymer solids, graphene oxide as an emerging solid-based nanocomposite material, steady-state creep deformation, and more.
Author: A. Galarneau
Publisher: Elsevier
ISBN: 008054391X
Category : Technology & Engineering
Languages : en
Pages : 525
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Book Description
The Zeolites and Mesporous Materials at the Dawn of the 21st Century Proceedings are the expression of the oral and poster communications which where presented during the 13th International Zeolite Conference (IZC). They are subdivided into 32 thematic sessions starting from the genesis of materials to their applications through their characterisation. The paper volume contains the full texts of the 5 plenary and 6 keynote lectures and informative summaries of 150 oral and 540 poster presentations. These contributions have been selected among the 903 submissions received from a total of 57 countries! In order to gather all the communications in a handy document, the full texts of oral and poster presentations are available in CD-ROM. Besides the fields of zeolite science always represented at IZC (synthesis, characterisation, catalysis, etc¿), some subjects strengthened their position (mesoporous materials, theory and modelling), new areas emerge (advanced materials, environmental and life sciences) and older ones regain interest (natural zeolites). The understanding and development of the unique properties of porous materials relies on a unique blend of multidisciplinary knowledge: material science, with the implication of organic and colloid chemistry, to prepare micro- and mesoporous materials, surface and adsorption science sustained by theory and modelling to understand the peculiar behaviour of molecules in confined systems, special branches of catalysis, physics, chemical engineering and life science to design novel applications. The gathering of these elements is at the basis of a fruitful and evolutionary zeolite science, as it is hopefully reflected by these proceedings.
Author:
Publisher: Academic Press
ISBN: 0128161752
Category : Science
Languages : en
Pages : 362
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Book Description
State of the Art of Molecular Electronic Structure Computations: Correlation Methods, Basis Sets and More, Volume 79 in the Advances in Quantum Chemistry series, presents surveys of current topics in this rapidly developing field that has emerged at the cross section of the historically established areas of mathematics, physics, chemistry and biology. Chapters in this new release include Computing accurate molecular properties in real space using multiresolution analysis, Self-consistent electron-nucleus cusp correction for molecular orbitals, Correlated methods for computational spectroscopy, Potential energy curves for the NaH molecule and its cation with the cock space coupled cluster method, and much more. - Presents surveys of current topics in this rapidly-developing field that has emerged at the cross section of the historically established areas of mathematics, physics, chemistry and biology - Features detailed reviews written by leading international researchers
Author: Nazmul Islam
Publisher: CRC Press
ISBN: 135136023X
Category : Mathematics
Languages : en
Pages : 362
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Book Description
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.
Author: Nazmul Islam
Publisher: CRC Press
ISBN: 1000089835
Category : Technology & Engineering
Languages : en
Pages : 244
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Book Description
Mathematics Applied to Engineering in Action: Advanced Theories, Methods, and Models focuses on material relevant to solving the kinds of mathematical problems regularly confronted by engineers. This new volume explains how an engineer should properly define the physical and mathematical problem statements, choose the computational approach, and solve the problem by a proven reliable approach. It presents the theoretical background necessary for solving problems, including definitions, rules, formulas, and theorems on the particular theme. The book aims to apply advanced mathematics using real-world problems to illustrate mathematical ideas. This approach emphasizes the relevance of mathematics to engineering problems, helps to motivate the reader, and gives examples of mathematical concepts in a context familiar to the research students. The volume is intended for professors and instructors, scientific researchers, students, and industry professionals. It will help readers to choose the most appropriate mathematical modeling method to solve engineering problems.
Author: Mihai V. Putz
Publisher: CRC Press
ISBN: 0429663153
Category : Science
Languages : en
Pages : 401
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Book Description
New Frontiers in Nanochemistry: Concepts, Theories, and Trends, Volume 2: Topological Nanochemistry is the second of the new three-volume set that explains and explores the important basic and advanced modern concepts in multidisciplinary chemistry. Under the broad expertise of the editor, this second volume explores the rich research areas of nanochemistry with a specific focus on the design and control of nanotechnology by structural and reactive topology. The objective of this particular volume is to emphasize the application of nanochemistry. With 46 entries from eminent international scientists and scholars, the content in this volume spans concepts from A-to-Z—from entries on the atom-bond connectivity index to the Zagreb indices, from connectivity to vapor phase epitaxy, and from fullerenes to topological reactivity—and much more. The definitions within the text are accompanied by brief but comprehensive explicative essays as well as figures, tables, etc., providing a holistic understanding of the concepts presented.
Author: Mihai V. Putz
Publisher: CRC Press
ISBN: 0429663161
Category : Technology & Engineering
Languages : en
Pages : 426
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Book Description
New Frontiers in Nanochemistry: Concepts, Theories, and Trends, Volume 1: Structural Nanochemistry is the first volume of the new three-volume set that explains and explores the important concepts from various areas within the nanosciences. This first volume focuses on structural nanochemistry and encompasses the general fundamental aspects of nanochemistry while simultaneously incorporating crucial material from other fields, in particular mathematic and natural sciences, with specific attention to multidisciplinary chemistry. Under the broad expertise of the editor, the volume contains 50 concise yet comprehensive entries from world-renowned scholars, alphabetically organizing a multitude of essential basic and advanced concepts, ranging from algebraic chemistry to new energy technology, from the bondonic theory of chemistry to spintronics, and from fractal dimension and kinetics to quantum dots and tight binding—and much more. The entries contain definitions, short characterizations, uses and usefulness, limitations, references, and more.
Author: Mihai V. Putz
Publisher: CRC Press
ISBN: 0429634099
Category : Science
Languages : en
Pages : 1479
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Book Description
New Frontiers in Nanochemistry: Concepts, Theories, and Trends, 3-Volume Set explains and explores the important fundamental and advanced modern concepts from various areas of nanochemistry and, more broadly, the nanosciences. This innovative and one-of-a kind set consists of three volumes that focus on structural nanochemistry, topological nanochemistry, and sustainable nanochemistry respectively, collectively forming an explicative handbook in nanochemistry. The compilation provides a rich resource that is both thorough and accessible, encompassing the core concepts of multiple areas of nanochemistry. It also explores the content through a trans-disciplinary lens, integrating the basic and advanced modern concepts in nanochemistry with various examples, applications, issues, tools, algorithms, and even historical notes on the important people from physical, quantum, theoretical, mathematical, and even biological chemistry.
Author: Satya Bir Singh
Publisher: CRC Press
ISBN: 1000727718
Category : Mathematics
Languages : en
Pages : 290
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Book Description
This volume focuses on the development and application of fundamental concepts in mechanics and physics of solids as they pertain to the solution of challenging new problems in diverse areas, such as materials science and micro- and nanotechnology. In this volume, emphasis is placed on the development of fundamental concepts of mechanics and novel applications of these concepts based on theoretical, experimental, or computational approaches, drawing upon the various branches of engineering science and the allied areas within applied mathematics, materials science, and applied physics. Materials Physics and Chemistry: Applied Mathematics and Chemo-Mechanical Analysis emphasizes the basics, such as design, equilibrium, material behavior, and geometry of deformation in simple structures or machines. Readers will find a thorough treatment of stress, strain, and the stress-strain relationships. Meanwhile it provides a solid foundation upon which readers can begin work in composite materials science and engineering. Many chapters include theory components with the equations students need to calculate different properties.
