While few of the descriptors (E-state keys) relate to molar group additivity, the biggest benefit from this work is it includes many additional descriptors not pertaining to specific functional groups and more generally calculated from molecular structure--such as HOMO-LUMO energies, aromaticity
, and molecular branching.
Binding of pyrene to aquatic and commercial humic substances: the role of molecular weight and aromaticity
asymmetric and symmetric bands are relatively more intense in the extracted DOM resulting from combustion at the higher temperature leading to more polar residues, which tend to offset any increase in aromaticity
that may have occurred.
bar]H]), formal charge on ether oxygen atoms (qo), electrophilicity index ([omega]), harmonic oscillator model of aromaticity
Details were not provided of the asphaltene type or water content of the emulsions, but the magnitude of the cef's and trend with solvent aromaticity
they observed support the results we have obtained here.
Wang's spectroscopy and Boldyrev's calculations revealed the product's unusual stability, as well as the presence of two so-called pi electrons, which are hallmarks of aromaticity
Rigid polyurethane and polyisocyanurate foam systems applications include spray foam, insulated appliances, insulated metal panels and other areas that require polyol aromaticity
to meet certain approval standards.
The number of rings plus double bonds (namely double-bond equivalents, DBE) is used to characterize the aromaticity
of a compound with an elemental composition and is defined as DBE = c - h/2 + n/2 + 1 (for an elemental composition, [C.
60] partly lost their rigidity as a result of aromaticity
lost by same benzoic rings .
The C/N ratio indicated the aromaticity
and the level of decomposition of organic material (Stevenson 1994; Rosa et al.
Low-temperature biochars have a predominantly amorphous C structure, with a lower aromaticity
than high-temperature biochars (McBeath and Smemik 2009; Keiluweit et al.
The four chapters in this brief collection address research in aromaticity
and indices for the measurement thereof.