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On the other hand, more parameter sets were published for some combinations (i.e., 6 parameter sets for HF/STO-3G/MPA).
For example, while 16 molecules from our data set are outliers for at least one parameter set, 10 out of these 16 molecules are outliers for five or more parameter sets.
2. If desired, add one or more parameter sets.
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Nevertheless, EEM parameterization is still a topic of research, therefore more general parameter sets are being developed.
Two or more EEM parameter sets are available in literature for four combinations of theory level, basis set and population analysis (see Table 1).
So in fact, constraining the oscillation period to be 120 mins can gives rise to many more suitable parameter sets other than one in Table 3.
By further investigating our experimental results, it was possible to define a more balanced parameter set.
While PS1 appears to be a much more successful parameter set, PS2 and PS3 cannot be strictly excluded.
Separately, we relied on a more restrained parameter set to probe alterations.
More precise parameter set estimations can be obtained using interval analysis [ 7, 8], but these interval techniques have not previously been applied to experimental design approaches.
To this end, we perform a multiparameter survey test (more than ten parameter sets) with the aim of obtaining a good understanding of the nature of seismic quiescence phenomena.
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