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The results calculated at higher levels of theory which includes non-bonding interactions were compared with molecular energy obtained with B3LYP which treats bonding interactions only.
For both databases,it is shown that PSNR shows very good agreement with human quality judgments when it is calculated at higher scales of MBP ED pyramid, much better than for the full resolution images in the base band.
The volume of the free space is then calculated at higher precision using a finer grid.
To account for the variable time between image acquisitions, regressors were calculated at higher temporal resolution and then resampled at image acquisition times.
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The activation volumes calculated at high strain rates decreased from 19.7b3 to 11.4b3 between 298 and 383 K.
At later age, the small particles cannot be fully counted at low magnification and the outer part of particles cannot be calculated at high magnification, and thus high reaction degree may be obtained.
In gravity maps of very low resolution, i.e., measured very far from causative sources or calculated at high level of upward continuation, sources tend to interfere with one another and consequently edges of geological relevance may be impossible to detect.
We found that the mean optimal rotation lengths across all sites was 94 yr (standard deviation of sample means = 44 yr), with a large cluster of short optimal rotation lengths that were calculated at high elevations in the White Mountain National Forest.
23 Similarly, in short intermolecular CH⋅⋅⋅F H-bonds identified in crystalline organic fluorine structures EHB reached 12kJ mol−1 and the complexation energies of small organofluorine molecules were calculated at high levels of theory to be lower than 10kJ mol−10kJ
To assess the reliability of the B3LYP/6-311++G**//DFTB3 energy, bond dissociation energies were also calculated at a higher theoretical level for the whole test set.
To assess the reliability of the B3LYP/6-311++G**//DFTB3 energy, bond dissociation energies were also calculated at a higher theoretical level for the whole test set (geometry optimized at the B3LYP/6-31G** B3LYP/6-31G**e singlevelint energy evandathe at the B3LYP/6-311++G(3df, 2p) level).
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