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Author: Daniel C. Fredrickson
Publisher: CRC Press
ISBN: 1498762220
Category : Science
Languages : en
Pages : 230
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Book Description
This timely and unique publication is designed for graduate students and researchers in inorganic and materials chemistry and covers bonding models and applications of symmetry concepts to chemical systems. The book discusses the quantum mechanical basis for molecular orbital concepts, the connections between molecular orbitals and localized views of bonding, group theory, bonding models for a variety of compounds, and the extension of these ideas to solid state materials in band theory. Unlike other books, the concepts are made tangible to the readers by guiding them through their implementation in MATLAB functions. No background in MATLAB or computer programming is needed; the book will provide the necessary skills. Key Features Visualization of the Postulates of Quantum Mechanics to build conceptual understanding MATLAB functions for rendering molecular geometries and orbitals Do-it-yourself approach to building a molecular orbital and band theory program Introduction to Group Theory harnessing the 3D graphing capabilities of MATLAB Online access to a growing collection of applications of the core material and other appendices Bonding through Code is ideal for first-year graduate students and advanced undergraduates in chemistry, materials science, and physics. Researchers wishing to gain new tools for theoretical analysis or deepen their understanding of bonding phenomena can also benefit from this text. About the Author Daniel Fredrickson is a Professor in the Department of Chemistry at the University of Wisconsin–Madison, where his research group focuses on understanding and harnessing the structural chemistry of intermetallic phases using a combination of theory and experiment. His interests in crystals, structure, and bonding can be traced to his undergraduate research at the University of Washington (B.S. in Biochemistry, 2000) with Prof. Bart Kahr, his Ph.D. studies at Cornell University (2000–2005) with Profs. Stephen Lee and Roald Hoffmann, and his post-doctoral work with Prof. Sven Lidin at Stockholm University (2005–2008). As part of his teaching at UW–Madison since 2009, he has worked to enhance his department’s graduate course, Physical Inorganic Chemistry I: Symmetry and Bonding, through the incorporation of new material and the development of computer-based exercises.
Author: Daniel C. Fredrickson
Publisher: CRC Press
ISBN: 1498762220
Category : Science
Languages : en
Pages : 230
Get Book
Book Description
This timely and unique publication is designed for graduate students and researchers in inorganic and materials chemistry and covers bonding models and applications of symmetry concepts to chemical systems. The book discusses the quantum mechanical basis for molecular orbital concepts, the connections between molecular orbitals and localized views of bonding, group theory, bonding models for a variety of compounds, and the extension of these ideas to solid state materials in band theory. Unlike other books, the concepts are made tangible to the readers by guiding them through their implementation in MATLAB functions. No background in MATLAB or computer programming is needed; the book will provide the necessary skills. Key Features Visualization of the Postulates of Quantum Mechanics to build conceptual understanding MATLAB functions for rendering molecular geometries and orbitals Do-it-yourself approach to building a molecular orbital and band theory program Introduction to Group Theory harnessing the 3D graphing capabilities of MATLAB Online access to a growing collection of applications of the core material and other appendices Bonding through Code is ideal for first-year graduate students and advanced undergraduates in chemistry, materials science, and physics. Researchers wishing to gain new tools for theoretical analysis or deepen their understanding of bonding phenomena can also benefit from this text. About the Author Daniel Fredrickson is a Professor in the Department of Chemistry at the University of Wisconsin–Madison, where his research group focuses on understanding and harnessing the structural chemistry of intermetallic phases using a combination of theory and experiment. His interests in crystals, structure, and bonding can be traced to his undergraduate research at the University of Washington (B.S. in Biochemistry, 2000) with Prof. Bart Kahr, his Ph.D. studies at Cornell University (2000–2005) with Profs. Stephen Lee and Roald Hoffmann, and his post-doctoral work with Prof. Sven Lidin at Stockholm University (2005–2008). As part of his teaching at UW–Madison since 2009, he has worked to enhance his department’s graduate course, Physical Inorganic Chemistry I: Symmetry and Bonding, through the incorporation of new material and the development of computer-based exercises.
Author: Risako Ide
Publisher: John Benjamins Publishing Company
ISBN: 902726063X
Category : Language Arts & Disciplines
Languages : en
Pages : 301
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Book Description
This book examines the linguistic and interactional mechanisms through which people bond or feel bonded with one another by analyzing situated discourse in Japanese contexts. The term “bonding” points to the sense of co-presence, belonging, and alignment with others as well as with the space of interaction. We analyze bonding as established, not only through the usage of language as a foregrounded code, but also through multi-layered contexts shared on the interactional, corporeal, and socio-cultural levels. The volume comprises twelve chapters examining the processes of bonding (and un-bonding) using situated discourse taken from rich ethnographic data including police suspect interrogations, Skype-mediated family conversations, theatrical rehearsals, storytelling, business email correspondence and advertisements. While the book focuses on processes of bonding in Japanese discourse, the concept of bonding can be applied universally in analyzing the co-creation of semiotic, pragmatic, and communal space in situated discourse.
Author: Frank Weinhold
Publisher: John Wiley & Sons
ISBN: 1118229193
Category : Science
Languages : en
Pages : 342
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Book Description
This book explores chemical bonds, their intrinsic energies, and the corresponding dissociation energies which are relevant in reactivity problems. It offers the first book on conceptual quantum chemistry, a key area for understanding chemical principles and predicting chemical properties. It presents NBO mathematical algorithms embedded in a well-tested and widely used computer program (currently, NBO 5.9). While encouraging a "look under the hood" (Appendix A), this book mainly enables students to gain proficiency in using the NBO program to re-express complex wavefunctions in terms of intuitive chemical concepts and orbital imagery.
Author: N. D. Epiotis
Publisher: VCH Publishers
ISBN:
Category : Science
Languages : en
Pages : 988
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Book Description
This groundbreaking work, the culmination of more than 10 years of research, presents a breakthrough theory of chemical bonding across the periodic table. Professor Epiotis, an internationally known and respected member of the theoretical community, challenges the conventional chemical concepts that underlie popular theories of chemical bonding. Building on his insight that electron-electron repulsion is the single crucial variable that differentiates one chemical system from another, the author formulates, explains, and applies a new approach based on nonorthogonal valence bond methodology that amounts to nothing less than a revolutionary unified theory of chemical boding across the periodic table. This work represents the first post-Pauling theory of chemical bonding. New theory means new formulae, and this work is about new chemical formulae that lead to the self-consistent rationalization of existing facts and, even more important, the design of new chemistry.
Author: J. Weber
Publisher:
ISBN:
Category : Metal cleaning
Languages : en
Pages : 44
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Book Description
Author: Simon Grabowsky
Publisher: Walter de Gruyter GmbH & Co KG
ISBN: 311066027X
Category : Science
Languages : en
Pages : 412
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Book Description
As chemical bonds are not observable, there are various theories and models for their description. This book presents a selection of conceptually very different and historically competing views on chemical bonding analysis from quantum chemistry and quantum crystallography. It not only explains the principles and theories behind the methods, but also provides practical examples of how to derive bonding descriptors with modern software and of how to interpret them.
Author: Anders Nilsson
Publisher: Elsevier
ISBN: 9780080551913
Category : Science
Languages : en
Pages : 532
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Book Description
Molecular surface science has made enormous progress in the past 30 years. The development can be characterized by a revolution in fundamental knowledge obtained from simple model systems and by an explosion in the number of experimental techniques. The last 10 years has seen an equally rapid development of quantum mechanical modeling of surface processes using Density Functional Theory (DFT). Chemical Bonding at Surfaces and Interfaces focuses on phenomena and concepts rather than on experimental or theoretical techniques. The aim is to provide the common basis for describing the interaction of atoms and molecules with surfaces and this to be used very broadly in science and technology. The book begins with an overview of structural information on surface adsorbates and discusses the structure of a number of important chemisorption systems. Chapter 2 describes in detail the chemical bond between atoms or molecules and a metal surface in the observed surface structures. A detailed description of experimental information on the dynamics of bond-formation and bond-breaking at surfaces make up Chapter 3. Followed by an in-depth analysis of aspects of heterogeneous catalysis based on the d-band model. In Chapter 5 adsorption and chemistry on the enormously important Si and Ge semiconductor surfaces are covered. In the remaining two Chapters the book moves on from solid-gas interfaces and looks at solid-liquid interface processes. In the final chapter an overview is given of the environmentally important chemical processes occurring on mineral and oxide surfaces in contact with water and electrolytes. Gives examples of how modern theoretical DFT techniques can be used to design heterogeneous catalysts This book suits the rapid introduction of methods and concepts from surface science into a broad range of scientific disciplines where the interaction between a solid and the surrounding gas or liquid phase is an essential component Shows how insight into chemical bonding at surfaces can be applied to a range of scientific problems in heterogeneous catalysis, electrochemistry, environmental science and semiconductor processing Provides both the fundamental perspective and an overview of chemical bonding in terms of structure, electronic structure and dynamics of bond rearrangements at surfaces
Author: United States. Congress. Senate. Committee on Government Operations
Publisher:
ISBN:
Category : Insurance, Surety and fidelity
Languages : en
Pages : 1252
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Book Description
Author: United States. Congress. Senate. Expenditures in the Executive Departments
Publisher:
ISBN:
Category :
Languages : en
Pages : 102
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Book Description
Author: United States. Congress. Senate. Committee on Expenditures in the Executive Departments
Publisher:
ISBN:
Category : Surety and fidelity insurance
Languages : en
Pages : 90
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Book Description
