Energetic Materials

Advances in Quantum Chemistry presents surveys of current topics in this rapidly developing field that has emerged at the cross section of the historically established areas of mathematics, physics, chemistry, and biology. It features detailed reviews written by leading international researchers. This volume focuses on the theory of heavy ion physics in medicine.

• 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

Contenu

1. Detonation Performance and Sensitivity: A Quest for Balance *Peter Politzer and Jane S. Murray

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2. On the Release of Stored Energy from Energetic Materials *Elliot R. Bernstein

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3. Quantum-Chemical Modeling of Energetic Materials: Chemical Reactions Triggered by Defects, Deformations, and Electronic Excitations *Maija M. Kuklja

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4. Geometric Metastability in Molecules as a Way to Enhance Energy Storage *Ajith Perera and Rodney J. Bartlett

5. *Quantum-Informed Multiscale M&S for Energetic Materials *DeCarlos E. Taylor and Betsy M. Rice

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6. The Reactivity of Energetic Materials Under High Pressure and Temperature *M. Riad Manaa and Laurence E. Fried

7. Ab Initio Chemical Kinetics of Key Processes in the Hypergolic Ignition of Hydrazine and Nitrogen Tetroxide* *Putikam Raghunath, N. T. Nghia and Ming-Chang Lin

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8. Material Dependence of Water Interactions with Metal Oxide Nanoparticles: TiO2, SiO2, GeO2, and SnO2 Marta Galynska and Petter Persson