𝔖 Bobbio Scriptorium
✦   LIBER   ✦

On the definition of the atomic charge. Relationship between 13C NMR chemical shifts, dipole moments, and charges in saturated hydrocarbons

✍ Scribed by Guglielmo Monaco

Publisher
John Wiley and Sons
Year
1998
Tongue
English
Weight
175 KB
Volume
68
Category
Article
ISSN
0020-7608

No coin nor oath required. For personal study only.

πŸ“œ SIMILAR VOLUMES

Automatic assignment of 13C NMR spectra
Automatic assignment of 13C NMR spectra based on the chemical shift/charge density relationship
✍ Ivan P. Bangov πŸ“‚ Article πŸ“… 1981 πŸ› John Wiley and Sons 🌐 English βš– 725 KB

## Abstract An approach for the automatic assignment of ^13^C spectra, based on the chemical shift/charge density relationship, is suggested. All permutations of spectral signals are computer‐generated, and for every permutation a least squares adjustment is carried out. The permutation presenting

An interpretation of 1H and 13C chemical
An interpretation of 1H and 13C chemical shifts in substituted benzenes on the basis of M.O. charge densities
✍ P. Lazzeretti; F. Taddei πŸ“‚ Article πŸ“… 1971 πŸ› John Wiley and Sons 🌐 English βš– 532 KB

## Abstract The results of an MOLCAO calculation on both Οƒ and Ο€ electron systems of several substituted benzenes are reported. The charge densities obtained reproduce the dipole moments of the molecules examined, provided that substituents with strong mesomeric effects are not present. It is shown