Description
Energetic Materials
Coordinator: Sabin John R.
Language: EnglishSubjects for Energetic Materials:
Keywords
Ab initio calculations; Activation barrier and reaction rates; Adiabatic potential energy surfaces; Arrhenius kinetics; Carbon; Chemical kinetics of solid-state reactions; Coarse-grained; Combustion chemistry; Density; Density functional tight binding; Detonation pressure; Detonation velocity; DFT; DFTB; Electrostatic potentials; Energetic materials; Force fields; Free space in the crystal; Furazans; Heat of detonation; HEDM; High explosives; High pressure; High-level quantum calculations; HMX chemistry; Hot spots; Hypergolic ignition; Imidazoles; Initiation of detonation; Interfacial electronic structure; Kinetics and mechanisms; Mechanisms of explosive decomposition; Mesoscale; Metal oxide; Metastability; Methane; Model systems; Molecular dynamics; Molecular materials; Multiscale; Multiscale shock technique; N2H4 and N2O4; Nanocrystalline materials; Nitramines; Nitro compounds; Nitrogen-rich heterocycles; Nonadiabatic intersections; Pentazole anion; PETN; Photocatalysis; Polar surfaces; Propellant system; Quantum mechanics; Quantum photoelectrochemistry; Reactivity; Sensitivity to impact and shock; Shock waves; Simulation; Specific impulse; Surface adsorption; TATB; Tetrazete; Tetrazines; Thermochemistry; Titanium dioxide; Ultrafast surface chemistry; Water
360 p. · 15x22.8 cm · Hardback
Description
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- Detonation Performance and Sensitivity: A Quest for Balance
- On the Release of Stored Energy from Energetic Materials
- Quantum-Chemical Modeling of Energetic Materials: Chemical Reactions Triggered by Defects, Deformations, and Electronic Excitations
- Geometric Metastability in Molecules as a Way to Enhance Energy Storage
- Quantum-Informed Multiscale M&S for Energetic Materials
- The Reactivity of Energetic Materials Under High Pressure and Temperature
- Ab Initio Chemical Kinetics of Key Processes in the Hypergolic Ignition of Hydrazine and Nitrogen Tetroxide
- Material Dependence of Water Interactions with Metal Oxide Nanoparticles: TiO2, SiO2, GeO2, and SnO2 Marta Galynska and Petter Persson
Peter Politzer and Jane S. Murray
Elliot R. Bernstein
Maija M. Kuklja
Ajith Perera and Rodney J. Bartlett
DeCarlos E. Taylor and Betsy M. Rice
M. Riad Manaa and Laurence E. Fried
Putikam Raghunath, N. T. Nghia and Ming-Chang Lin
Researchers in quantum chemistry, or possible other researchers who are interested in what is happening in quantum chemistry.
Sabin’s research interest is in the theoretical description of the interaction of fast charged baryon projectiles with atomic and molecular targets, both as neutrals and ions. In this work, he uses molecular quantum mechanics to describe such interactions. In particular, he is interested in the mechanism of absorption of the projectile’s mechanical energy by the target, where it is mostly converted to electronic energy, which is measured by the target’s mean excitation energy. He has written some 250 articles in this and related fields.
Sabin is editor of Advances in Quantum Chemistry and has been editor of the International Journal of Quantum Chemistry. He has edited some 90 volumes and proceedings.
- This volume presents a series of articles concerning current important topics in quantum chemistry. The invited articles are written by the best people in the field
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