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The thermodynamic properties of CH3OO and CH3OOH, as well as the rate constants for the abstraction reactions CH3OOH + CH3 = CH3OO + CH4 and CH3OH + CH3 = CH3O + CH4, were calculated at a high level of theory.
The steady state flux distributions for the nRBC along with the six G6PD variants (vRBCi, i = 1, 6) were calculated at a high and a low redox load (see METHODS).
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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).
Return your vehicle a few minutes late and you could be charged a full day, often calculated at a higher rate than the one you paid.
The value of SF a is different than that of SF m (used for motion feature extraction) due to the nature of the audio information and its MFCC representation, which require that MFCC coefficients are calculated at a relatively high rate and in temporal windows of correspondingly short duration [52].
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.
Respiration rates (by linear interpolation between flanking points) were calculated at the highest membrane potential common to all conditions on a given day.
The volume of the free space is then calculated at higher precision using a finer grid.
The activation volumes calculated at high strain rates decreased from 19.7b3 to 11.4b3 between 298 and 383 K.
Optimized lattice constants and atomic positions were calculated at room and high pressure, as well as, the respective electronic structures.
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