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The observed geometries agreed with density functional theory calculations, and bond valences were calculated for the two methoxybenzene C−O bonds using the theoretically calculated geometries.
In this way, an indicative energy poverty ratio is calculated for the two residence types.
From these data, average yearly and monthly data were calculated for the two 30-year periods.
Scores can be calculated for the two subscales (maximum score = 6) as well as overall (maximum score = 12).
The energy flows calculated for the two rice production systems are itemized in Tables 2 and 3.
Finally, the AUC for CV values greater than CVT (i.e. AUC CVT)) was calculated for the two activity distributions.
The adsorption capacities qm, adsorption energy constant β, and the main adsorption energies E are calculated for the two adsorbents.
The spectral extinction coefficient of an undiluted suspension of SWCNHs is calculated for the two considered morphologies as described above.
The transmission efficiency is analyzed with the multimode propagation model, and also the polarization characteristics of polarizers are calculated for the two different frequencies.
Impinging molecular flows on substrates are then calculated for the two usual device symmetries cylindrical and spherical, and in case of fixed or rotating substrates.
The standard deviations were calculated for the two groups of data and are shown as error bars in Fig. 3of the main text.
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