Cargando…
Energetic materials. Part 1, Decomposition, crystal and molecular properties /
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...
| Clasificación: | Libro Electrónico |
|---|---|
| Otros Autores: | , |
| Formato: | Electrónico eBook |
| Idioma: | Inglés |
| Publicado: |
Amsterdam ; Boston :
Elsevier,
2003.
|
| Edición: | 1st ed. |
| Colección: | Theoretical and computational chemistry ;
12. |
| Temas: | |
| Acceso en línea: | Texto completo Texto completo |
Tabla de Contenidos:
- Chapter 1. A Survey of the Thermal Stability of Energetic Materials
- Chapter 2. Characterisation of Explosive Materials Using Molecular Dynamics Simulations
- Chapter 3. Nitro aci-nitro Tautomerism in High-Energetic Nitro Compounds
- Chapter 4. Decomposition Mechanism of 1,1-Diamino-Dinitroethylene (FOX-7): An Overview of the Quantum Chemical Calculation
- Chapter 5. Quantum-chemical Dynamics with the Slater-Roothaan Method
- Chapter 6. Molecular Dynamics Simulations of Energetic Materials
- Chapter 7. Structure and Density Predictions for Energetic Materials
- Chapter 8. X-ray Crystallography
- Beyond Structure in Energetic Materials
- Chapter 9. Computational Approaches to Heats of Formation
- Chapter 10. Thermodynamics and Mechanical Properties of HMX from Atomistic Simulations
- Chapter 11. Optical absorption in PETN and RDX
- Chapter 12. Interactions of Model Organic Species and Explosives with Clay Minerals
- Chapter 13. Chemistry and Applications of Dinitramides
- Chapter 14. Polynitrogens as Promising High-Energy Density Materials: Computational Design
- Chapter 15. Electronic Structure Calculations as a Tool in the Quest for Experimental Verification of N4
- Chapter 16. Changing the Properties of N5+ and N5- by Substitution.