On infinite words obtained by iterating morphisms

Prediction of proton magnetic resonance

Prediction of proton magnetic resonance shifts: The dependence on hydrogen charges obtained by iterative partial equalization of orbital electronegativity

✍ Johann Gasteiger; Mario Marsili 📂 Article 📅 1981 🏛 John Wiley and Sons 🌐 English ⚖ 756 KB

## Abstract Proton chemical shifts correlate linearly with charges on hydrogen obtained by a method for iterative partial equalization of orbital electronegativity. The compounds studied comprise a wide variety of classes of molecules; all points fall on a single correlation line, showing the gener