This book represents a collection of lectures presented at the NATO Advanced study Institute(ASI) on "Chemistry & Physics of the Molecular Processes in Energetic Materials", held at Hotel Torre Normanna, Altavilla Milicia, Sicily, Italy, September 3 to 15, 1989. The institute was attended by seventy participants including twenty lecturers, drawn from thirteen countries. The purpose of the institute was to review the major ad­ vances made in recent years in the theoretical and experi­ mental aspects of explosives and propellants. In accordance with the format of the NATO ASI, it was arranged to have a relatively small number of speakers to present in depth, re­ view type lectures emphasizing the basic research aspects of the subject, over a two week period. Most of the speakers gave two lectures, each in excess of one hour with addition­ al time for discussions. The scope of the meeting was limit­ ed to molecular and spectroscopic studies since the hydro­ dynamic aspects of detonation and various performance crite­ ria of energetic materials are often covered adequately in other international meetings. An attempt was made to have a coherent presentation of various theoretical, computational and spectroscopic approaches to help a better understanding of energetic materials from a molecular point of view. The progress already made in these areas is such that structure­ property (e. g.

1. Fundamental Principles of Thermal Explosions and Recent Applications.- 2. Modelling Isothermal Waves of Chemical Reaction.- 3. Thermochemical Modeling: I. Application to Decomposition of Energetic Materials.- 4. Thermochemical Modeling: II. Application to Ignition and Combustion of Energetic Materials.- 5. Fundamental Physics and Chemistry Behind Molecular Crystal Detonations at a Microscopic Level.- 6. On the X? Local Spin Density Approximation in the Study of Organic Molecules.- 7. On the Dissociation of Chemical Bonds.- 8. Structure-Sensitivity Relationships in Energetic Compounds.- 9. Computational Studies of Energetic Nitramines.- 10. Molecular Dynamics Approach to Detonation Studies and Related Problems in the Condensed Phase.- 11. Molecular Dynamical Studies of Energy Transport and Energy Sharing in Molecular Dissociation.- 12. Fast Thermolysis-Fourier Transform Infrared Spectroscopy Methods to Study Energetic Materials.- 13. Structure-Thermolysis Relationships for Energetic Materials.- 14. The Application of Simultaneous Thermogravimetric Modulated Beam Mass Spectrometry and Time-of-flight Velocity Spectra Measurements to the Study of the Pyrolysis of Energetic Materials.- 15. Thermal Decomposition of HMX and RDX: Decomposition Processes and Mechanisms Based on STMBMS and TOF Velocity-Spectra easurements.- 16. The Diamond Anvil Cell for Physical and Chemical Investigations of Energetic Materials at High Pressures.- 17. Effects of Pressure on the Thermal Decomposition Rates, Chemical Reactivity, and Phase Behavior of HMX, RDX and Nitromethane.- 18. Mechanistic Investigations of Condensed Phase Energetic Material Decomposition Processes using the Kinetic Deuterium Isotope Effect.- 19. Mechanistic Relationships of the Decomposition Process to Combustion andExplosion Events from Kinetic Deuterium Isotope Effect Investigations.- 20. KIVA Reactive Hydrodynamics Code Applied to Detonations in High Vacuum.- 21. Detonation Chemistry Studies of Energetic Materials using Laboratory Scale Samples.- 22. Analysis of Reaction Products of Propellants and High Explosives.- 23. Chemical Sensitisation in Nitro, Nitramine, and Nitrate Explosives.- 24. The Response of Energetic Materials to Projectile Impact.- 25. Fundamentals of X-Ray Photoelectron Spectroscopy (XPS) and its Applications to Explosives and Propellants.- 26. XPS Study of Hot Spots and Sensitization Centers in Energetic Materials.- 27. Sensitivity Relationships in Energetic Materials.- 28. Molecular Architecture Versus Chemistry and Physics of Energetic Materials.- 29. Emission Spectroscopy as a Tool to Detect Decomposition Products of Laser Irradiated Explosives.- 30. Tandem Mass Spectrometry (MS/MS) and Collision Induced Dissociation (CID) - An Introduction.- 31. MS/MS of Energetic Compounds: Collision Induced Dissociation (CID) Studies of Fragmentation Processes in Energetic Molecules.- 32. NQR/NMR Studies of Solid Phase Energetic Materials.- List of Participants.