Edited by
P.A. Politzer, University of New Orleans, Los Angeles, USA
JS Murray, University of New Orleans, Los Angeles, USA
Description
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 primary analytical tool. The next several chapters deal with different aspects of the crystalline state, again moving from the general to particular. There is also a discussion of methods for computing gas, liquid and solid phase heats of formation.
Finally, the last portion of this volume looks at the potential of high-nitrogen molecules as energetic systems; this has been of considerable
interest in recent years.
Overall, this volume illustrates the progress that has been made in the field of energetic materials and
some of the areas of current activity. It also indicates the challenges involved in characterizing and understanding the properties
and behaviour of these compounds. The work is a unique state-of-the-art treatment of the subject, written by pre-eminent researchers
in the field.
Included in series
Theoretical and Computational Chemistry
Audience:
Computational chemists, Chemical Physicists, Chemical Engineers, Materials Chemists.
