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Some Novel Tricyclic Caged-Nitramines - A DFT Study
2020
Earthline Journal of Chemical Sciences
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A tricyclic caged-nitramine structure having embedded RDX base has been designed. It also has three etheric linkages in the cage structure. In that sense it reminds TEX structure but it has much better oxygen balance than RDX and TEX. Then two hetero atom exchange operation (N to O replacement) at a time has been carried out to produce different isomeric structures. Through optimization process (B3LYP/6-311++G(d,p)) they have yielded some conformers and stereoisomers. The effect of heteroatom
doi:10.34198/ejcs.5121.3548
fatcat:nnosoklwuvax7isyjjxb3v2vqm