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. 2020 Mar 12;16(4):2795–2802. doi: 10.1021/acs.jctc.9b01104

Figure 4.

Figure 4

Principal component analysis of the combined clustering of systems at equilibrium temperature of 300 K, conventionally heated to 700 K and MW heated to 700 K. The first and second principal components form the x and y axes of the scatter plots, respectively. On each plot, the trajectory at equilibrium 300 K is depicted with blue dots and the trajectory at an elevated temperature is depicted with orange dots.