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 and Explosion 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.
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