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The effects of extraframework species on the structure based prediction of 31P isotropic chemical shifts of aluminophosphates

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Figure

Table 1. Summary of the ordered AlPO structures used. All structures were optimized prior to calculation of the NMR parameters
Figure 3. Plots of calculated  iso DFT
Figure 4. Plots of the distribution in coefficients for Eq. 3, obtained as described in detail in Ref
Figure  5.  The  published  structures  of  (a)  AlPO-18 39   and  (b)  AlPO-21. 44   (c)  Plots  of  31 P  DISCO
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