Structure-impact sensitivity relation of some substituted 1,3,5-trinitrobenzenes

2005-07-11
Türker, Burhan Lemi
Structure-impact sensitivity relation of some substituted 1,3,5-trinitrobenzene type explosives is investigated by using a topological approach. It has been found that the sensitivity increases with decreasing of a previously defined upper bound (U) of the deepest lying molecular orbital energy, x(1), or the fourth coefficient (a(4)) of the secular polynomial of the molecular graph of the isoconjugate hydrocarbon system within the Huckel molecular orbital framework.

Citation Formats
B. L. Türker, “Structure-impact sensitivity relation of some substituted 1,3,5-trinitrobenzenes,” JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, vol. 725, pp. 85–87, 2005, Accessed: 00, 2020. [Online]. Available: https://hdl.handle.net/11511/62339.