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)...
| Publié dans: | Journal of computational chemistry. - 1984. - 30(2009), 3 vom: 10. Feb., Seite 415-22 |
|---|---|
| Auteur principal: | |
| Autres auteurs: | , |
| Format: | Article en ligne |
| Langue: | English |
| Publié: |
2009
|
| Accès à la collection: | Journal of computational chemistry |
| Sujets: | Journal Article Research Support, Non-U.S. Gov't Alkynes Cyclobutanes dimethylacetylene |
| Accès en ligne |
Volltext |