Sentence examples for were calculated within from inspiring English sources
The HOMO and LUMO energies were calculated within the molecule.
The deviations between the theoretical predictions and experimental measurements were calculated within 1.07-9.321.07-9.32%
Total energies and forces were calculated within the generalized-gradient approximation of Perdew, Burke and Ernzerhof41 to DFT using projector-augmented wave potentials, as implemented in VASP42,43.
TD-M06//M06 TD-M06//M06 TD-M06//M062 known indolylfulgimideffectively obsimulatedsorbance maxima were calculated within ±0.08 eV (±15 nm).
With all approaches, the mean sauter diameters were calculated within 10% relative error at lower frequencies for both flowrates.
In this work, thermal dispersion tensors were calculated within an infinite porous medium formed by a spatially periodic array of longitudinally-displaced elliptic rods.
PAZ energy levels and optical properties were calculated within density-functional theory (DFT and TDDFT) framework for 28 oligomers (monomer, dimer and trimer) of PAZs.
Superdislocation dissociation schemes, partials separation and core widths were calculated within the modified Peierls Nabarro (PN) model with ab-initio GSF parameterization.
All parameters were calculated within the expected range for HS-GC and LC-MS/MS analyses.
The average activity concentration [Auave] and percentage standard deviation [%SDu] were calculated within that VOI.
Regional mean values were calculated within the predefined regions of interest.
