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Comparison between theory and experiment for the proton solid-state nuclear magnetic resonance (1H SSNMR) parameters of two molecular crystals specified in the text. Green squares, blue circles, and red crosses pertain to the GIPAW-PBE, GIAO-B3LYP, and parametrized data, respectively (the green dashed line is y = −1.292*x + 31.56 ppm, while the blue straight line is y = −1.054*x + 31.60 ppm).
