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Figure 6. Plots of the calculated e2qQ/h using the FPT-MNDO-PM3 method against the hydrogen bond length.

Fig. 6.5.7. The direction of the principal axes of the chemical shielding tensor of the carbonyl oxygen employing FPT-MNDO-PM3 method.

See other pages where FPT-MNDO-PM3 method is mentioned: [Pg.127] [Pg.133] [Pg.243] [Pg.244] [Pg.127] [Pg.133] [Pg.243] [Pg.244] [Pg.137]