RT Journal Article ID 03a0ab9d1819efdd A1 Huang, Lulu A1 Massa, Lou T1 APPLICATIONS OF ENERGETIC MATERIALS BY A THEORETICAL METHOD (DISCOVER ENERGETIC MATERIALS BY A THEORETICAL METHOD) JF International Journal of Energetic Materials and Chemical Propulsion JO IJEMCP YR 2013 FD 2013-09-26 VO 12 IS 3 SP 197 OP 262 K1 explosive energy K1 shock velocity K1 crystal density K1 heat of formation AB It has been shown that quantum chemical calculations can be used to Discover Energetic Materials by a Theoretical Method (DEMTM). The key quantity computed is the heat of formation. The computer program CHEETAH converts the heat of formation into calculated explosive properties. We test DEMTM for obtaining explosive properties against some 109 explosive materials and produce thereby their energetic characteristics. Thus, we have shown that DEMTM is appropriate to be used in a search across a database of materials to assess their usefulness as explosives. PB Begell House LK https://www.dl.begellhouse.com/journals/17bbb47e377ce023,30bd94f76fa49ac5,03a0ab9d1819efdd.html