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  1. 1
    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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  2. 2
    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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  3. 3
    Can we predict the structure and stability of molecular crystals under increased pressure? First-principles study of glycine phase transitions

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  4. 4
    A theoretical and experimental NMR study of BODIPY 493/503 difluoro{2-[1-(3,5-dimethyl-2H-pyrrol-2-ylidene-N)ethyl]-3,5-dimethyl-1H-pyrrolato-N}boron

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