Background

This chapter provides an overview of the fundamentals behind the HQS NMR tool.

In section NMR, we describe the basics of nuclear magnetic resonance (NMR) from experimental and theoretical perspective. We discuss, for example, the different relevant parameters entering an NMR calculation, such as the shifts or couplings between nuclear spins, and introduce the relevant Hamiltonian of a molecule for NMR.

In Math, we describe in greater detail the math behind calculation of spectra in the HQS NMR Tool.