Orbital Directionality

Nevertheless, from some recently published studies it emerges, not unexpectedly, that the model based on 1,3-interactions alone sometimes leads to structural predictions where the angular geometry is not modeled well enough 191. From this and the 

The amount of the electronic contribution to the total strain (force constant Eqs. 11.1, 11.2  

In principle, the resulting angle bending force constants are generic parameters (Table 12.2). However, in the light of the discussions on the relationship between force field parameters and physical reality presented in Section 3.5, the generic 

A comparison of examples (different electronic ground states) of experimentally determined structures and geometries obtained by strain energy minimization with 

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Figure 6.6. Orbital directionality of C-H (left) and C-C (right) bond-breaking reactions.

Orbital directionality reduces simultaneous overlap with metal... 

The magnitudes of the forward" effects for H2, E>2 CO2 are somewhat lower than those observed for most of the rare gases ( naxAnin compared to 1.6). It is tempting to speculate that the rotational structure of the molecular partner deteriorates the alignment effect by some partial scrambling of the orbital directionality. However, it should be noted that the reverse process for H2 shows an effect of Imax/ min 1 - Th xs, it does not appear that the rotational structure alone can be responsible for the smaller alignment effects with molecules. 

Same size of orbital Same energy of orbital Directionality in space... 

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