Accession Number : ADA301062
Title : Theoretical Chemical Dynamics Studies of Reactions in Energetic Materials.
Descriptive Note : Final rept. 1 Sep 93-31 Aug 95,
Corporate Author : OKLAHOMA STATE UNIV STILLWATER DEPT OF CHEMISTRY
Personal Author(s) : Thompson, Donald L.
PDF Url : ADA301062
Report Date : 16 OCT 1995
Pagination or Media Count : 9
Abstract : This research program is concerned with the development of computational methods (mainly, classical and semiclassical) and calculations for simulating chemical reactions in many-atom systems. The particular processes of interest are those that occur in the initial stages of the decomposition of energetic materials that are based on nitramines. The long-range goal is the development of theoretical/computational methods for investigating reactions in condensed-phase energetic materials.
Descriptors : *DYNAMICS, *CHEMICAL REACTIONS, *ENERGETIC PROPERTIES, *NITRAMINES, SIMULATION, METHODOLOGY, COMPUTATIONS, MATERIALS, ATOMS, NUMERICAL METHODS AND PROCEDURES, DECOMPOSITION.
Subject Categories : Inorganic Chemistry
Ammunition and Explosives
Atomic and Molecular Physics and Spectroscopy
Distribution Statement : APPROVED FOR PUBLIC RELEASE