These calculated energies of FMOs
are further utilized for the calculation of global hardness (n =-(EHOMO-ELUMO)/2), ionization potential (IP= - EHOMO), electro negativity (X= -(EHOMO+ELUMO)/2), global softness (I =1/2n), electron affinity (EA= - ELUMO), chemical potential (u=EHOMO+ELUMO/2), electrophilicity index (I =u2/2n) and results are expressed in Table 7.
For the isolated ligand, it is also observed that the FMOs
structures present contribution of the s-Ic ligand, except for the LUMO+1 of the dianionic compounds which is localized over the alkyl chain binding across the six-edge ring of s-Ic (Figures S1-S2).
, IMO, NMO)--a third-party intermediary between independent licensed insurance agents and insurance company home offices, who provides economies of scale for product manufacturing and distribution.
Keywords: (a) 1,2-benzothiazine; (b) XRD; (c) Density Functional Theory (DFT); (d) FMOs
; (e) MEP.
analysis by using quantum chemical methods has vital role in explaining the reactivity, electronic properties and the molecular transitions of any compound .
Next month, we'll announce our favorite logos from FMOs
. See a logo you think ought to make our list?
would come calling and they'd go, wow, who's this?
They make decisions about what products to sell, which FMOs
or broker-dealers to affiliate with, what selling systems to use, etc.