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| Creator | Title | Description | Subject | Date | ||
|---|---|---|---|---|---|---|
| 1 |
 | Voth, Gregory Alan | Ab initio calculations of reactive pathways for ?-octahydro-1,3,5,7-tetranitro-1,3,5,7-tetrazocine (?-HMX) | Using the BLYP and B3LYP level of density functional theory, four possible decomposition reaction pathways of HMX in the gas phase were investigated: N?NO2 bond dissociation, HONO elimination, C?N bond scission of the ring, and the concerted ring fission. The energetics of each of these four mechan... | Ab initio calculations; Reactive pathways; HMX | 2000 |
| 2 |
 | Stang, Peter J. | Studies in the cycloproparene series: cycloaddition reactions of diarylmethylidenecycloproparenes | Diarylmethylidenecyclopropanaphthalenes 4b-d add diphenylisobenzofuran (DPIBF) and α-pyrone across the exocyclic double bond to give ring expanded products 11b-d and 13b-d that result from subsequent relief of ring strain in the non-isolable spirocyclic intermediates 10 and 12, respectively. The be... | Cycloproparene series; Cycloaddition; Diarylmethylidenecycloproparenes; Ab initio calculations; Strained aromatics; Acetylenic-iodonium salts; Crystal structures; Cyclobutanes, Diels-Alder cycloaddition; norcaradienes | 2001 |
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