1D NMR simulation (small molecules/crystalline solids)

The following examples are the NMR spectrum simulation of small molecules and crystalline solids for the following methods:

• Bloch decay method (BlochDecaySpectrum),

• Central transition selective Bloch decay method (BlochDecayCTSpectrum).

• Generic one-dimensional method (Method1D).

Wollastonite, ²⁹Si (I=1/2)

Wollastonite, ²⁹Si (I=1/2)

Using Custom Isotopes

Using Custom Isotopes

Selective Excitations using Custom Isotopes

Selective Excitations using Custom Isotopes

Influence of 14N on 13C NMR MAS spectra of glycine

Influence of 14N on 13C NMR MAS spectra of glycine

Potassium Sulfate, ³³S (I=3/2)

Potassium Sulfate, ³³S (I=3/2)

Coesite, ¹⁷O (I=5/2)

Coesite, ¹⁷O (I=5/2)

Non-coincidental Quad and CSA, ¹⁷O (I=5/2)

Non-coincidental Quad and CSA, ¹⁷O (I=5/2)

Arbitrary spin transition (single-quantum)

Arbitrary spin transition (single-quantum)

Arbitrary spin transition (multi-quantum)

Arbitrary spin transition (multi-quantum)

Coupled spin-1/2 (Static dipolar spectrum)

Coupled spin-1/2 (Static dipolar spectrum)

Coupled spin-1/2 (CSA + heteronuclear dipolar + J-couplings)

Coupled spin-1/2 (CSA + heteronuclear dipolar + J-couplings)

Writing Custom methods (HahnEcho)

Writing Custom methods (HahnEcho)