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The results of FINDSITEcomb change very little when modeled structures as compared to experimental structures are used.
The Z-score distribution of low-quality models with GDT_TS below 40 is clearly shifted towards lower Z-scores compared to experimental structures (mean Z-score = −3.85).
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As a major error in the calculation of kaolinite structure compared to experimental results, these Al–O bonds are overestimated by both PBE and PBE-D2, with similar averaged bond length (Table 1).
The computed chemical flame structures were compared to experimental data obtained in the present work.
While in excellent agreement with each other, analytical and numerical models somewhat over-predicted the yield stress of the porous structures as compared to experimental data.
31 Crysol takes into account details of both the protein itself and the water molecules surrounding it and generate very accurate scattering intensity profiles from known structures when compared to experimental data.
The phase velocity and the coupling coefficient of the first two modes of SAWs for the AlN/Diamond structure are numerically analyzed and compared to experimental data.
Coupled and non-coupled simulations are compared to experimental results and discussed in terms of cooling efficiency and flow structures.
Using this model, the autocorrelation function can be calculated and compared to experimental measurements in order to determine the dynamics of the light scattering structures.
and compared to experimental results.
The results are compared to experimental data.
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