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The HOMO and LUMO energies were calculated within the molecule.
The electronic properties are calculated within GGA approximation.
Quasiparticle energies are calculated within the GW approximation for the self-energy.
The deviations between the theoretical predictions and experimental measurements were calculated within 1.07-9.321.07-9.32%
Also many different configurations can be calculated within a reasonable time.
The NDVI was also calculated within a-priori vegetation community types within the floodplain.
Both average and local effectiveness factors can be calculated within acceptable range for monolith reactor simulations.
All parameters were calculated within the expected range for HS-GC and LC-MS/MS analyses.
The BET surface area was calculated within the relative pressure range 0.05 0.30.
Reductions in GHG emissions due to displaced fuel consumption are calculated within the system dynamics model.
Values for each magnetic component are calculated within successive 30-day periods.
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