Department of Chemistry, Shahid Bahonar University of Kerman, Kerman, I.R. IRAN
10.30492/ijcce.1993.10398
Abstract
The 13C chemical shifts for a series of compounds which includes carboxylic acids, aldehydes, ethers, ketones and hydrocarbons were simulated by using the parametric techniques. The observed chemical shifts were related to numerically encoded structural parametes called descriptors. Two new electronic descriptors were added to the previous descriptors. Ploting of experimental versus calculated chemical shifts for 34 different carbons in the data set shows a standards deviation of 6.05 ppm and regression coefficient of 0.994.
Jalali Heravi, M., & Moosavi, M. (1993). A New Development of Electronic Descriptors for Simulation of 13C Chemical Shifts. Iranian Journal of Chemistry and Chemical Engineering, 12(2), 73-76. doi: 10.30492/ijcce.1993.10398
MLA
Mahdi Jalali Heravi; Mahdi Moosavi. "A New Development of Electronic Descriptors for Simulation of 13C Chemical Shifts". Iranian Journal of Chemistry and Chemical Engineering, 12, 2, 1993, 73-76. doi: 10.30492/ijcce.1993.10398
HARVARD
Jalali Heravi, M., Moosavi, M. (1993). 'A New Development of Electronic Descriptors for Simulation of 13C Chemical Shifts', Iranian Journal of Chemistry and Chemical Engineering, 12(2), pp. 73-76. doi: 10.30492/ijcce.1993.10398
VANCOUVER
Jalali Heravi, M., Moosavi, M. A New Development of Electronic Descriptors for Simulation of 13C Chemical Shifts. Iranian Journal of Chemistry and Chemical Engineering, 1993; 12(2): 73-76. doi: 10.30492/ijcce.1993.10398
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