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)

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)

Using Custom Isotopes

Using Custom Isotopes

Selective Excitations using Custom Isotopes

Selective Excitations using Custom Isotopes

Writing Custom methods (HahnEcho)

Writing Custom methods (HahnEcho)