edited by John R. Sabin, Quantum Theory Project, University of Florida, Gainsville, Florida
First edition
xii, 344 pages :
illustrations ;
24 cm
Advances in quantum chemistry ;
v.69
Includes bibliographical references and index
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