CNDO/2 Electron Densities and Proton Chemical Shifts
- 15 May 1971
- journal article
- Published by Canadian Science Publishing in Canadian Journal of Chemistry
- Vol. 49 (10) , 1779-1781
- https://doi.org/10.1139/v71-292
Abstract
An approximate linear dependence of the proton shifts on the CNDO/21 calculated electron densities on hydrogen for C5H5−, C6H6, C7H7+, C5H5NH+, and C6H5CH2− has been found. The significance and limitations of the correlation are discussed.Keywords
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