Averaging formalism

What IS the average formal charge on each oxygen in nitrate ion 3... 

An increase in reaction rate with ethylene partial pressure was observed, but does not follow a first-order law. An averaged formal order of 0.53 was calculated [4]. The reaction rate increases with increasing oxygen partial pressure on OAOR-modified silver with an order of 0.78 with respect to oxygen ]4]. 

Using the spin integration method described above, it was also determined that at an average formal valence of +4 Xu = 0) both Mn and Co undergo a simple tetrahedral defect reaction... 

The value of A I,ct—tet for VO2 was calculated to be the second lowest in Table 3. Unfortunately the valences of V in /JS-(lVl)tet(M3)oct08 could not be clearly determined using the spin integration method of section 5 because the net spin on the V did not match a spin-polarized configuration consistent with the average formal oxidation state. Instead, the V took on a non-spin-polarized state. 

This average gi/es 1.225 for the carbon-carbon bond number and 0.471 for the iron-carbon (or ruthenium-carbon) bond number. The calculated average number of unshared pairs on the iron atom is 2.03. Its average formal charge is —0.79. The partial ionic character of the 4.71 Fe—C bonds (12 percent) reduces the charge to —0.22. 

The value A Ef = —35.6 mV has the particular interest of corresponding to a 50 % of character E e-E c and E2c At the average formal potential Ef, the intermediate species reaches half of its maximum value and, hence, at this A Ef species 02 may or may not gain a second electron (and as a direct consequence, for higher AEf it will be considered that the intermediate species is no more stable at the average formal potential). So, this AEf could be considered as the boundary between anti-cooperative and cooperative behavior of both electron transfer reactions [35, 43]. Indeed, it is well known that the voltamogram of an EE mechanism under these conditions is identical to that of an E mechanism multiplied by a factor... 

When only one peak is obtained (A > —71.2mV), the determination of the formal potentials can be made from the peak current and peak potential. Indeed, the average of the forward and backward peak potentials corresponds to the value of the average formal potential, i.e.,... 

SWVC signals are not centered with respect to the average formal potential and shift toward more negative potentials as decreases. 

Consequently there is an average formal charge on silicon of q = 2.82-, which means the average number of bonds per Si atoms is only slightly larger than one. 

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