charge population

charge population

[′chärj ‚päp·yə‚lā·shən]
(chemistry)
The net electric charge on a specified atom in a molecule that, while it cannot be observed physically, can be determined by a prescribed definition.
References in periodicals archive ?
The following discussions are about the properties on O short bridge in Model I including Mulliken charge population, density of states, and electron localization function.
Mulliken Charge Population. It shows the information of interaction between the [H.sub.2] molecule and the crystal surface by analysing Mulliken charge population.
The following discussions are about the properties on O top in Model II including Mulliken charge population, density of states, and electron localization function.
Mulliken Charge Population. Table 4 lists the Mulliken charge population before and after adsorption, respectively.
From these works, we have optimized the possible stable geometries of ILs and the products, discussed how charge population influence the interaction force between ion-pair, and as well as that between ILs and CO2 by using natural bond orbital (NBO) calculations.
CO2, as well as to explore how the charge population affects the interactions between ion-pair, and between ILs and CO2, NBO atomic integral charges were calculated and analyzed in this part.
To achieve high recombination speeds, an extremely high injection level and a very high charge population are required in light-emitting diodes.