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. 2012 Feb 29;136(8):084109. doi: 10.1063/1.3688228

Figure 4.

Figure 4

Distribution of all six elements of the quadrupole tensor at 300 K. Note that normalization imposes an inverse relation between peak heights and widths. For the principal components, e.g., this implies that σQxx < σQzz < σQyy. The greatest variance is observed in the molecular (yz) plane.