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The digitised particles and clusters were used as a structural input to digital simulation.
Briefly, MSM first involves clustering all conformations (a total number of 100 clusters were used) in metastable states and building the transition matrix between them.
The results of higher level calculations on smaller clusters were used to estimate corrections to the MP2/6-31G*//HF/6-31G* energies.
When eight clusters were used for creating representative alternatives, decisions were always consistent to those made with random alternatives, and correlation with the predicted preference was higher with lower error compared to other cluster configurations tested.
Initially, the globular clusters were used to constrain the total mass of this galaxy, finding that the internal motions were far less than what dark matter predicted.
To minimize this problem in the present study, marker clusters were used instead of single markers (Cappozzo et al., 1997).
For 15O-water, six clusters were used while for 11C-acetate five clusters were found to yield more stable results.
The C266H46 clusters were used to model graphene (GR) sheets (see corresponding plots in the left column of Fig. 1).
Rice accessions with membership probabilities < 0.80 for all clusters were used to detect possible genetic exchanges among groups of rice accessions.
These cross-plot clusters were used to accurately delineate the different lithofacies and mark out the reservoirs units for further petrophysical evaluation.
Subsequently, each cluster was selected as a validation set and molecular fragments from the remaining clusters were used by eSynth to build new molecules.
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