Spectroscopic properties with a combined
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Marco Pagliai; Francesco Muniz-Miranda; Gianni Cardini; Roberto Righini; Vincenz
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Article
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2011
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Elsevier Science
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English
⚖ 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