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Energetic Materials
This volume provides an overview of current research and recent advances in the area of energetic materials, focusing on decomposition, crystal and molecular properties. The contents and format reflect the fact that theory, experiment and computation are closely linked in this field. Since chemical decomposition is of fundamental importance in energetic performance, this volume begins with a survey of the decomposition processes of a variety of energetic compounds. This is followed by detailed studies of certain compounds and specific mechanisms, such as nitro/aci-nitro tautomerism. Chapter 6 covers the transition from decomposition to crystal properties, with molecular dynamics being the pr...
Pauling's Legacy
Theory and experiment in chemistry today provide a wealth of data, but such data have no meaning unless they are correctly interpreted by sound and transparent physical models. Linus Pauling was a grandmaster in the modelling of molecular properties. Indeed, many of his models have served chemistry for decades and that has been his lasting legacy for chemists all over the world. The aim of this book is to put such simple models into the language of modern quantum chemistry, thus providing a deeper justification for many of Pauling's ideas and concepts. However, it should be stressed that many contributions to this work, written by some of the world's most prominent theoretical chemists, do not merely follow Pauling's footprints. By taking his example, they made bold leaps forward to overcome the limitations of the old models, thereby opening new scientific vistas. This book is an important contribution to the chemical literature. It is an almost obligatory textbook for postgraduate students and postdoctoral researchers in physical chemistry, chemical physics and advanced physical organic chemistry.
Chemical Vapour Deposition
"The book is one of the most comprehensive overviews ever written on the key aspects of chemical vapour deposition processes and it is more comprehensive, technically detailed and up-to-date than other books on CVD. The contributing authors are all practising CVD technologists and are leading international experts in the field of CVD. It presents a logical and progressive overview of the various aspects of CVD processes. Basic concepts, such as the various types of CVD processes, the design of CVD reactors, reaction modelling and CVD precursor chemistry are covered in the first few"--Jacket
Computational Chemistry
A blend of methodological and applied contributions on computational chemistry. It explores research results and the topographical features of several molecular scalar fields. A discussion of topographical concepts is followed by examples of their application to several branches of chemistry.
Nitroalkanes
Discover a comprehensive exploration of recent progress in the preparation of nitroalkanes from two leading voices in the field Nitroalkanes: Synthesis, Reactivity, and Applications delivers a thorough summary of the importance of nitroalkanes in organic synthesis. The book covers their preparation, transformation into other functional groups, like carbonyls and amines, and their use in the formation of single carbon-carbon or double carbon-carbon bonds. The distinguished authors have included chapters on acyclic and cyclic alpha-nitro ketones as well as the synthesis of cyclopropanes and spiro ketals. The book provides treatments of the application of nitroalkanes for the synthesis of impor...
Modern Density Functional Theory: A Tool For Chemistry
Density Functional Theory (DFT) is currently receiving a great deal of attention as chemists come to realize its important role as a tool for chemistry. This book covers the theoretical principles of DFT, and details its application to several contemporary problems. All current techniques are covered, many are critically assessed, and some proposals for the future are reviewed. The book demonstrates that DFT is a practical solution to the problems standard ab initio methods have with chemical accuracy.The book is aimed at both the theoretical chemist and the experimentalist who want to relate their experiments to the governing theory. It will prove a useful and enduring reference work.
Explosive Effects and Applications
This is a broad-based text on the fundamentals of explosive behavior and the application of explosives in civil engineering, industrial processes, aerospace applications, and military uses.
Atomic Charges, Bond Properties, and Molecular Energies
The first book to cover conceptual quantum chemistry, Atomic Charges, Bond Properties, and Molecular Energies deftly explores chemical bonds, their intrinsic energies, and the corresponding dissociation energies, which are relevant in reactivity problems. This unique first-hand, self-contained presentation develops relatively uncomplicated but physically meaningful approaches to molecular properties by providing derivations of all the required formulas from scratch, developed in Professor Fliszar's laboratory. This book is vitally relevant to organic- and biochemists, molecular biologists, materials scientists, and nanoscientists.
Nano and Micro-Scale Energetic Materials
Provides an up-to-date account of innovative energetic materials and their potential applications in space propulsion and high explosives Most explosives and propellants currently use a small number of ingredients, such as TNT and nitrocellulose. In comparison to conventional materials, nano- and micro-scale energetic materials exhibit superior burning characteristics and much higher energy densities and explosive yields. Nano and Micro-scale Energetic Materials: Propellants and Explosives provides a timely overview of innovative nano-scale energetic materials (nEMs) and microscale energetic materials (μEMs) technology. Covering nEMs and μEMs ingredients as well as formulations, this compr...
