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AM1 treatment of some dinitro derivatives of [2(2)](1,4)-cyclophane

2004-07-05
Türker, Burhan Lemi
Semiempirical molecular orbital treatment at the level of AMI(RHF) approach has been performed on [2(2)](1,4)-cyclophanes (paracyclophane derivatives) having two nitro substituents at different positions (the bridge positions and phane-deck(s)). All the isomeric structures presently studied are found to be stable but endothermic.