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  1. 1
    Benchmark accuracy of predicted NMR observables for quadrupolar 14 N and 17 O nuclei in molecular crystals

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  2. 2
    Looking into the dynamics of molecular crystals of ibuprofen and terephthalic acid using 17 O and 2 H nuclear magnetic resonance analyses

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  3. 3
    A structural analysis of 2,5-diaryl-4H-2,4-dihydro-3H-1,2,4-triazol-3-ones NMR in the solid state, X-ray crystallography, and GIPAW calculations

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  4. 4
    5-amino-2-methylpyridinium hydrogen fumarate An XRD and NMR crystallography analysis

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  5. 5
    A theoretical NMR study of polymorphism in crystal structures of azoles and benzazoles

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  6. 6
    How does the NMR thermometer work? Application of combined quantum molecular dynamics and GIPAW calculations into the study of lead nitrate

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  7. 7
    Does the choice of the crystal structure influence the results of the periodic DFT calculations? A case of glycine alpha polymorph GIPAW NMR parameters computations

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  8. 8
    A theoretical NMR study of selected benzazoles Comparison of GIPAW and GIAO-PCM (DMSO) calculations

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  9. 9
    Analysis of the bond-valence method for calculating (29) Si and (31) P magnetic shielding in covalent network solids
    von Holmes, Sean T
    Veröffentlicht in: Journal of computational chemistry (2016)

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