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Heterodyned 3D IR spectra are reported for three model compounds: W(CO) 6 , azide in an ionic glass, and an iridium metal dicarbonyl. The 3D spectra are generated using a fifth-order pulse sequence whose signal is Fourier transformed along three separate coherence evolution times. Because the pulse sequence rephases static vibrational frequencies into a photon echo, the 3D IR spectra exhibit...
Molecular dynamics simulations were used to study the change in the mechanism of iron cluster melting with increasing cluster size. Melting of smaller clusters (e.g., Fe 55 and Fe 100 ) occurs over a large temperature interval where the phase of the cluster repeatedly oscillates between liquid and solid. In contrast, larger clusters (e.g., Fe 300 ) have sharper melting points...
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