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Molecular aggregation in liquid water: Laplace spectra and spectral clustering of H-bonded network
[article]
2020
arXiv
pre-print
Application of the spectral clustering method based on the analyses of the Laplace matrix is an acceptable indicator of the global properties of H-bonded network. The first peak of the Laplace spectra contains six eigenvalues. These results suggest that six communities are always formed in our simulated systems independently of the number of molecules in the cubic box. We showed that the H-bonded environment on the surface of the clusters is different from what can be found inside of the
arXiv:2009.00955v1
fatcat:uwfvasdhsjazjjvlcc6rvzhigm