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...

Бүрэн тодорхойлолт

Номзүйн дэлгэрэнгүй
Үндсэн зохиолч: Mehran Ghiaci
Формат: Өгүүллэг
Хэл сонгох:English
Хэвлэсэн: Iranian Institute of Research and Development in Chemical Industries (IRDCI)-ACECR 1988-06-01
Цуврал:Iranian Journal of Chemistry & Chemical Engineering
Нөхцлүүд:
Онлайн хандалт:http://www.ijcce.ac.ir/article_12274_a90311ebf87a76408ac76632b4429dc2.pdf
Тодорхойлолт
Тойм: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.
ISSN:1021-9986
1021-9986