Iterative Force-Field Calculation and Molecular Dynamics of Cyclooctanone
Body's iterative force-field computer program has been used to calculate strain energies in cyclooctanone (I). 348 MHZ 1H NMR spectra of (I) have been investigated over the temperature range of 25° to -160°C. Two conformation processes affect the 1H NMR spectrum of (I). Iterative force-field ca...
| Autor principal: | |
|---|---|
| Formato: | Artigo |
| Idioma: | English |
| Publicado em: |
Iranian Institute of Research and Development in Chemical Industries (IRDCI)-ACECR
1988-06-01
|
| Colecção: | Iranian Journal of Chemistry & Chemical Engineering |
| Assuntos: | |
| Acesso em linha: | http://www.ijcce.ac.ir/article_12274_a90311ebf87a76408ac76632b4429dc2.pdf |