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The calculated dInsociathis constants for the complexes (Kd) and for ring cleavage of nitroquinone (kf2) work found thevary impact foflowing ordempiricalrocatechol > 3-methylnitrocatechol > 3-metoxynitrocatechol.
However, comparisons between sea states of varying steepness, but with all other parameters held constant, suggest that the empirical parameters on which the latter solution is based may not be universally applicable.
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The expected fitness of phages was calculated based on empirical parameters of eclipse time, lysis time, lysis variance, intracellular growth rate, and adsorption by solving equation (4) numerically.
In water-supply pipeline leak detection and location, both the leak signals and blurred noises are closely related to the pipeline states and surroundings and most of the conventional noise-cancellation methods have to depend on the empirical parameters of either signals or noises.
"While scientists often rely on quantum mechanics in their study of materials, engineers tend to use a more traditional continuum approach that relies on empirical parameters to model processes such as a crack forming, without considering the mechanisms at the atomic scale that give rise to these phenomena," said Buehler.
Theoretical voltammograms were calculated following systematic variation of empirical parameters to assess their impact on the shape of the voltammogram.
This is due, on one side to the not obvious transferability of the empirical parameters to low- dimensional systems and on the other side to the deficiency of the ab-initio Density Functional Theory (DFT) approach in the correct evaluation of the excitation energies.
Additionally, to develop a predictive model for empirical parameters based on drugs' physicochemical properties.
In order to speed up CSSA development, a variety of empirical parameters based on Hume-Rothery rules have been developed.
To compensate remaining modeling deficiencies, we combine the analytical a priori model with a complementary set of five empirical parameters based on an ECOM-type formulation.
Collision energies for maximum fragmentation were automatically calculated using empirical parameters based on the charge and mass-to-charge ratio of the peptide.
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