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PREFACE It is with great pleasure that we bring you a thematic volume of Advances in Quantum Chemistry focusing on energy-rich materials. On initiation, such materials decompose and release large amounts of energy of various types, for example, heat, light, and kinetic energy of the fragments. Consequently, they are frequently used as explosives, incendiary devices, propellants, and pyrotechnics. More recently, there has also been discussion of the use of energy-rich materials as a mechanism for energy storage. The detailed understanding of the electronic structure of these systems and the mechanism of their decomposition is necessary for design and application of such mate- rials. Thus, in this volume, we present eight chapters by experts in the field who discuss precisely these points. This volume follows the two-volume contribution 1 to the series Theo- retical and Computational Chemistry of a decade ago edited by Peter Politzer and Jane S. Murray and includes some of the material learned since that time. JOHN R. SABIN Editor 1 Energetic Materials: Part 1. Decomposition, Crystal and Molecular Properties, and Part 2. Detonation, Combustion, Volumes 12 and 13 of Theoretical and Computational Chemistry, edited by Peter Politzer and Jane S. Murray, Elsevier, Amsterdam, 2003. ix

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PREFACE

It is with great pleasure that we bring you a thematic volume of Advances in

Quantum Chemistry focusing on energy-rich materials. On initiation, such

materials decompose and release large amounts of energy of various types,

for example, heat, light, and kinetic energy of the fragments. Consequently,

they are frequently used as explosives, incendiary devices, propellants, and

pyrotechnics. More recently, there has also been discussion of the use of

energy-rich materials as a mechanism for energy storage. The detailed

understanding of the electronic structure of these systems and themechanism

of their decomposition is necessary for design and application of such mate-

rials. Thus, in this volume, we present eight chapters by experts in the field

who discuss precisely these points.

This volume follows the two-volume contribution1 to the series Theo-

retical and Computational Chemistry of a decade ago edited by Peter Politzer

and Jane S. Murray and includes some of the material learned since that time.

JOHN R. SABIN

Editor

1 Energetic Materials: Part 1. Decomposition, Crystal andMolecular Properties, and Part 2. Detonation,

Combustion, Volumes 12 and 13 of Theoretical and Computational Chemistry, edited by Peter

Politzer and Jane S. Murray, Elsevier, Amsterdam, 2003.

ix