Theoretical Models Of Chemical Bonding
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The Concept Of The Chemical Bond
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Author : Zvonimir B. Maksic
language : en
Publisher: Springer
Release Date : 1990-06-13
The Concept Of The Chemical Bond written by Zvonimir B. Maksic and has been published by Springer this book supported file pdf, txt, epub, kindle and other format this book has been release on 1990-06-13 with Science categories.
The state-of-the-art in contemporary theoretical chemistry is presented in this 4-volume set with numerous contributions from the most highly regarded experts in their field. It provides a concise introduction and critical evaluation of theoretical approaches in relation to experimental evidence.
The Concept Of The Chemical Bond
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Author : Dieter Cremer
language : en
Publisher: Springer
Release Date : 1990-06-13
The Concept Of The Chemical Bond written by Dieter Cremer and has been published by Springer this book supported file pdf, txt, epub, kindle and other format this book has been release on 1990-06-13 with Science categories.
The state-of-the-art in contemporary theoretical chemistry is presented in this 4-volume set with numerous contributions from the most highly regarded experts in their field. It provides a concise introduction and critical evaluation of theoretical approaches in relation to experimental evidence.
Theoretical Models Of Chemical Bonding
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Author : Zvonimir B. Maksic
language : en
Publisher: Springer Science & Business Media
Release Date : 2012-12-06
Theoretical Models Of Chemical Bonding written by Zvonimir B. Maksic 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 2012-12-06 with Science categories.
The renowned theoretical physicist Victor F. Weisskopf rightly pointed out that a real understanding of natural phenomena implies a clear distinction between the essential and the peripheral. Only when we reach such an understanding - that is to say when we are able to separate the relevant from the irrelevant, will the phenomena no longer appear complex, but intelectually transparent. This statement, which is generally valid, reflects the very essence ofmodelling in the quantum theory of matter, on the molecular level in particular. Indeed, without theoretical models one would be swamped by too many details embodied in intricate accurate molecular wavefunctions. Further, physically justified simplificqtions enable studies of the otherwise intractable systems and/or phenomena. Finally, a lack of appropriate models would leave myriads of raw experimental data totally unrelated and incomprehensible. The present series ofbooks dwells on the most important models of chemical bonding and on the variety of its manifestations. In this volume the electronic structure and properties of molecules are considered in depth. Particular attention is focused on the nature of intramolecular interactions which in turn are revealed by various types ofmolecular spectroscopy. Emphasis is put on the conceptual and interpretive aspects of the theory in line with the general philosophy adopted in the series.
The Concept Of The Chemical Bond
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Author : Zvonimir B. Maksic
language : en
Publisher: Springer
Release Date : 2011-10-02
The Concept Of The Chemical Bond written by Zvonimir B. Maksic and has been published by Springer this book supported file pdf, txt, epub, kindle and other format this book has been release on 2011-10-02 with Science categories.
The state-of-the-art in contemporary theoretical chemistry is presented in this 4-volume set with numerous contributions from the most highly regarded experts in their field. It provides a concise introduction and critical evaluation of theoretical approaches in relation to experimental evidence.
Theoretical Models Of Chemical Bonding
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Author : L. D. Barron
language : en
Publisher:
Release Date : 1990
Theoretical Models Of Chemical Bonding written by L. D. Barron and has been published by this book supported file pdf, txt, epub, kindle and other format this book has been release on 1990 with Chemical bonds categories.
Theoretical Models Of Chemical Bonding
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Author : Zvonimir B. Maksic
language : en
Publisher: Springer
Release Date : 1991
Theoretical Models Of Chemical Bonding written by Zvonimir B. Maksic and has been published by Springer this book supported file pdf, txt, epub, kindle and other format this book has been release on 1991 with Science categories.
The state-of-the-art in contemporary theoretical chemistry is presented in this 4-volume set with numerous contributions from the most highly regarded experts in their field. It provides a concise introduction and critical evaluation of theoretical approaches in relation to experimental evidence.
Theoretical Treatment Of Large Molecules And Their Interactions
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Author : Zvonimir B. Maksic
language : en
Publisher: Springer Science & Business Media
Release Date : 2013-03-07
Theoretical Treatment Of Large Molecules And Their Interactions written by Zvonimir B. Maksic 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 2013-03-07 with Science categories.
The French chemist Marcelin Berthelot put forward a classical and by now an often cited sentence revealing the quintessence of the chemical science: "La Chimie cree son objet". This is certainly true because the largest number of molecular compounds were and are continuously synthesized by chemists themselves. However, modern computational quantum chemistry has reached a state of maturity that one can safely say: "La Chimie Theorique cree son objet" as well. Indeed, modern theoretical chemistry is able today to provide reliable results on elusive systems such as short living species, reactive intermediates and molecules which will perhaps never be synthesized because of one or another type of instability. It is capable of yielding precious information on the nature of the transition states, reaction paths etc. Additionally, computational chemistry gives some details of the electronic and geometric structure of molecules which remain hidden in experimental examinations. Hence, it follows that powerful numerical techniques have substantially enlarged the domain of classical chemistry. On the other hand, interpretive quantum chemistry has provided a conceptual framework which enabled rationalization and understanding of the precise data offered either by experiment or theory. It is modelling which gives a penetrating insight into the chemical phenomena and provides order in raw experimental results which would otherwise represent just a large catalogue of unrelated facts.
The Chemical Bond
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Author : Gernot Frenking
language : en
Publisher: John Wiley & Sons
Release Date : 2014-07-08
The Chemical Bond written by Gernot Frenking and has been published by John Wiley & Sons this book supported file pdf, txt, epub, kindle and other format this book has been release on 2014-07-08 with Science categories.
This is the perfect complement to "Chemical Bonding - Across the Periodic Table" by the same editors, who are two of the top scientists working on this topic, each with extensive experience and important connections within the community. The resulting book is a unique overview of the different approaches used for describing a chemical bond, including molecular-orbital based, valence-bond based, ELF, AIM and density-functional based methods. It takes into account the many developments that have taken place in the field over the past few decades due to the rapid advances in quantum chemical models and faster computers.
Models For Bonding In Chemistry
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Author : Valerio Magnasco
language : en
Publisher: John Wiley & Sons
Release Date : 2011-07-22
Models For Bonding In Chemistry written by Valerio Magnasco and has been published by John Wiley & Sons this book supported file pdf, txt, epub, kindle and other format this book has been release on 2011-07-22 with Science categories.
A readable little book assisting the student in understanding, in a nonmathematical way, the essentials of the different bonds occurring in chemistry. Starting with a short, self-contained,introduction, Chapter 1 presents the essential elements of the variation approach to either total or second-order molecular energies, the system of atomic units (au) necessary to simplify all mathematical expressions, and an introductory description of the electron distribution in molecules. Using mostly 2x2 Hückel secular equations, Chapter 2, by far the largest part of the book because of the many implications of the chemical bond, introduces a model of bonding in homonuclear and heteronuclear diatomics, multiple and delocalized bonds in hydrocarbons, and the stereochemistry of chemical bonds in polyatomic molecules, in a word, a model of the strong first-order interactions originating the chemical bond. In Chapter 3 the Hückel model of the linear polyene chain is used to explain the origin of band structure in the 1-dimensional crystal. Chapter 4 deals with a simple two-state model of weak interactions, introducing the reader to understand second-order electric properties of molecules and VdW bonding between closed shells. Lastly, Chapter 5 studies the structure of H-bonded dimers and the nature of the hydrogen bond, which has a strength intermediate between a VdW bond and a weak chemical bond. Besides a qualitative MO approach based on HOMO-LUMO charge transfer from an electron donor to an electron acceptor molecule, a quantitative electrostatic approach is presented yielding an electrostatic model working even at its simplest pictorial level. A list of alphabetically ordered references, author and subject indices complete the book.
Bonding Through Code
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Author : Daniel C. Fredrickson
language : en
Publisher: CRC Press
Release Date : 2020-09-16
Bonding Through Code written by Daniel C. Fredrickson and has been published by CRC Press this book supported file pdf, txt, epub, kindle and other format this book has been release on 2020-09-16 with Science categories.
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.