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FATO molecular mechanics of nitrogen atom. Model ammonia molecule

FATO molecular mechanics of nitrogen atom. Model ammonia molecule. [Pg.243]

It is easy to see that the minimum of the above expression with respect to both its arguments is reached precisely for the planar configuration and for the sp2 hybridization (6 = 0, ujsz = 0). This result comes from the (two-center) resonance energy only. [Pg.244]

The hybridization dependent part of the one-center energy of the nitrogen atom is  [Pg.244]




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