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Dynamical properties of deeply undercooled and amorphous systems: Combined classical and ab initio molecular dynamics simulations approaches

✍ Scribed by Noel Jakse; Alain Pasturel


Book ID
116375653
Publisher
Elsevier Science
Year
2010
Tongue
English
Weight
308 KB
Volume
49
Category
Article
ISSN
0927-0256

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Spectroscopic properties with a combined
✍ Marco Pagliai; Francesco Muniz-Miranda; Gianni Cardini; Roberto Righini; Vincenz πŸ“‚ Article πŸ“… 2011 πŸ› Elsevier Science 🌐 English βš– 874 KB

In order to extract spectroscopic information from trajectories obtained by classical or ab initio molecular dynamics simulations, usually Fourier transforms are employed. In recent years wavelet transforms have been shown to be a valid alternative tool to analyze time-series, due to their capabilit