iterative force-field calculation and molecular dynamics of cyclooctanone
نویسندگان
چکیده
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 calculations on the conformations and conformational interconversion paths of (i) give results consistent with the nmr findings.
منابع مشابه
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 calculations on the conformations and conformational interconversion paths of ...
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عنوان ژورنال:
iranian journal of chemistry and chemical engineering (ijcce)ناشر: iranian institute of research and development in chemical industries (irdci)-acecr
ISSN 1021-9986
دوره 7
شماره 1 1988
میزبانی شده توسط پلتفرم ابری doprax.com
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