The Chemical Bond

The Chemical Bond
Author: Gernot Frenking
Publisher: John Wiley & Sons
Total Pages: 450
Release: 2014-07-08
Genre: Science
ISBN: 3527333142

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.

Chemical Bonding at Surfaces and Interfaces

Chemical Bonding at Surfaces and Interfaces
Author: Anders Nilsson
Publisher: Elsevier
Total Pages: 533
Release: 2011-08-11
Genre: Science
ISBN: 0080551912

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

Chemical Bonds and Bonds Energy

Chemical Bonds and Bonds Energy
Author: R Sanderson
Publisher: Elsevier
Total Pages: 233
Release: 2012-12-02
Genre: Science
ISBN: 0323161952

Chemical Bonds and Bonds Energy, Second Edition provides information pertinent to the fundamental aspects of contributing bond energy and bond dissociation energy. This book explores the values that are useful in the interpretation of significant phenomena such as product distribution and reaction mechanisms. Organized into 12 chapters, this edition begins with an overview of the quantitative relationship among three basic properties of an atom, namely, nonpolar covalent radius, electronegativity, and homonuclear single covalent bond energy. This text then examines the quantitative means of evaluating the partial atomic charges that result from initial differences in the electromagnetivity of atoms that form a compound. Other chapters consider the recognition of the reduction of bond weakening not by multiplicity and in certain types of single covalent bonds. The final chapter deals with the application of the principal ideas and techniques to the oxidation of ethane. This book is a valuable resource for organic and inorganic chemists.

Chemical Bonds

Chemical Bonds
Author: Harry B. Gray
Publisher: University Science Books
Total Pages: 244
Release: 1994-12-05
Genre: Science
ISBN: 9780935702354

This profusely illustrated book, by a world-renowned chemist and award-winning chemistry teacher, provides science students with an introduction to atomic and molecular structure and bonding. (This is a reprint of a book first published by Benjamin/Cummings, 1973.)

Comprehensive Handbook of Chemical Bond Energies

Comprehensive Handbook of Chemical Bond Energies
Author: Yu-Ran Luo
Publisher: CRC Press
Total Pages: 1685
Release: 2007-03-09
Genre: Medical
ISBN: 1420007289

Understanding the energy it takes to build or break chemical bonds is essential for scientists and engineers in a wide range of innovative fields, including catalysis, nanomaterials, bioengineering, environmental chemistry, and space science. Reflecting the frequent additions and updates of bond dissociation energy (BDE) data throughout the literat

Second Quantized Approach to Quantum Chemistry

Second Quantized Approach to Quantum Chemistry
Author: Peter R. Surjan
Publisher: Springer Science & Business Media
Total Pages: 197
Release: 2012-12-06
Genre: Science
ISBN: 3642747558

The aim of this book is to give a simple, short, and elementary introduction to the second quantized formalism as applied to a many-electron system. It is intended for those, mainly chemists, who are familiar with traditional quantum chemistry but have not yet become acquainted with second quantization. The treatment is, in part, based on a series of seminars held by the author on the subject. It has been realized that many quantum chemists either interested in theory or in applications, being educated as chemi~ts and not as physicists, have never devoted themselves to taking a course on the second quantized approach. Most available textbooks on this topic are not very easy to follow for those who are not trained in theory, or they are not detailed enough to offer a comprehensive treatment. At the same time there are several papers in quantum chemical literature which take advantage of using second quantization, and it would be worthwhile if those papers were accessible for a wider reading public. For this reason, it is intended in this survey to review the basic formalism of second quantization, and to treat some selected chapters of quantum chemistry in this language. Most derivations will be carried out in a detailed manner, so the reader need not accept gaps to understand the result.