Modeling high pressure reactivity in unsaturated systems : application to dimethylacetylene
A general model is introduced to study pressure-induced reactivity on unsaturated systems in the condensed state. The model is applied here to dimethylacetylene (DMA) in the solid phase II (C/2m) because it has been proposed that two DMA molecules can react to form tetramethyl-cyclobutadiene (TMCBD)...
| Veröffentlicht in: | Journal of computational chemistry. - 1984. - 30(2009), 3 vom: 10. Feb., Seite 415-22 |
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| Format: | Online-Aufsatz |
| Sprache: | English |
| Veröffentlicht: |
2009
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| Zugriff auf das übergeordnete Werk: | Journal of computational chemistry |
| Schlagworte: | Journal Article Research Support, Non-U.S. Gov't Alkynes Cyclobutanes dimethylacetylene |
| Online verfügbar |
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