Calculation of NMR and EPR parameters : theory and applications

By M. Kaupp, M. Bühl, V. G. Malkin. 2004

686 citations recorded by the source corpus.

Subfields: Biophysics, Spectroscopy

View Paper: https://www.semanticscholar.org/paper/138e05d9144156b4436f024836e5aaccf7ceb4f2

How researchers see this paper

The researchers whose trusted networks rank it highest, strongest advocate first. Every researcher gets a different order.

In Biophysics

1. Brant Walkley
2. J. Provis

In Spectroscopy

1. Brant Walkley
2. J. Provis

Citations in the corpus

• Solid-state nuclear magnetic resonance spectroscopy of cements (2019, methodology): “Isotropic chemical shifts, coupling constants and electric field gradients of molecules can also be predicted ab initio from calculations using DFT [381,382] and used to simulate NMR spectra.”