Molecular Structure And Energetics, Structure And Reactivity

Eight chapters by leading researchers examine the use of ground-state experimental and calculational parameters to predict reactivity. Among the topics of discussion are high-resolution X-ray techniques and complimentary calculations to predict electrophilic and nucleophilic sites in molecules, how structural data can be used to assess reactivity in strained species, and how predictions on solid state structure may not apply to behavior in solution.
The book also introduces the principles of designing high-energy explosives and explains their important molecular features. The techniques described in this book range from calculation, low and high resolution X-ray, NMR, UV, to photoelectron spectroscopy of matrix-isolated species.