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It can however be expensive to materialize thousands of molecules on the fly using database Molfiles, particularly with regards to calculation of aromaticity.
With regards to calculation of efficiency, consumption of anaesthetic gases depends on the concentration used, patient factors (uptake), and the anaesthetic device itself.
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In this paper, three different approaches for the use of CAD geometries with MCNP calculations are investigated and assessed with regard to calculation performance and user-friendliness.
It is demonstrated that the previous model has serious shortcomings, particularly with regard to calculation of the seawater flow exergy, the minimum work of separation, and the second law efficiency.
With regards to the calculation of carbon gains and losses in various pools (step 4 above), the links between living biomass, dead wood, litter and mineral soil are automatically modelled by the CBM [31].
At the same time, it excels with regards to expediency of calculations, provides useful intuitive understanding, and is closer to the actual practice of physicists with regards to applying the theory to make predictions.
Of the 135 ions examined here, 45 ions occur in only one coordination, resulting in a significant problem with regard to the calculation of their bond-valence parameters.
We recognise that the numbers of raters in this study is small particularly with regard to our calculation of test-retest reliability, and this caveat needs to be borne in mind while interpreting our findings.
With regard to the calculation task, changes in oxyhemoglobin concentrations in the krill oil group were significantly greater than those in the medium-chain triglyceride group at week 12.
However, the study was neither designed nor conducted in accordance with the recommendations in the CONSORT statement 26 and lacked a sample size calculation with regards to evaluating primary outcome measures.
There were no statistically significant differences between the three genotypes with regards to gender, age or clinical characteristics (calculations not shown).
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