A CNDO/2 study on the additivity and the
✍
Reino Laatikainen
📂
Article
📅
1980
🏛
John Wiley and Sons
🌐
English
⚖ 474 KB
## Abstract The general correlation between the electron densities and the ^13^C NMR chemical shifts is found to be quite poor in the cases discussed. The non‐additivities of the substituent effects on the chemical shifts and the CNDO/2 electron densities correlate only weakly. However, when the el