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Table 2 Quality criteria of EEM parameter sets calculated in parameterization comparison case study.
The challenging dataset is specifically the dataset CCD_gen_all, which was prepared in the parameterization comparison case study and which includes structures generated by CORINA.
The DE-MIN+RMSD approach was used, because it provides the best results for CCD_gen in the parameterization comparison case study.
This case study first compares EEM parameterization approaches (Parameterization comparison case study), then shows the parameterization running times (Parameterization running time case study) and afterwards focuses on EEM parameterization for wwPDB CCD (Parameterization calculation case study).
The QM charges were calculated by Gaussian [52] for all molecules from the CCD_gen dataset, except for the B3LYP/6-311G/NPA charges, which were taken from the parameterization comparison case study.
Selection and calculation of QM charges The QM charge calculation approach B3LYP/6-311G/NPA wagainain selected for the same reasons as in the parameterization comparison case study.
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The effectiveness of the proposed method is demonstrated by comparison case studies, field test verification and application discussion in a real-scale bridge.
Heritage.exe (2016): Cross-comparison case study of software preservation strategies at three US institutions.
Open image in new window Fig. 7 Pressure prediction comparison for Case Study 5: Rich gas C, Set C Open image in new window Fig. 8 Pressure prediction comparison Case Study 6: Rich gas D, Set C Open image in new window Fig. 9 Average p So relationship for Rich gas D versus CVD and CCE data.
What is missing is a comparison of case study research designs with regard to differences in the contribution to theory.
In this section, several evaluation criteria in the field of probabilistic forecasting are reviewed, and benchmark models for further comparison in case study will be proposed.
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