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Animating the CRYSTAL vibrational frequencies
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By combining MOLDRAW features and a series of Python scripts (written by Yves Noel) the full set of frequencies can be rendered on the web by means of the powerful JMOL engine. In the following a few examples are provided, taken from published and unpublished works.
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| Carbonates | Ice XI | |
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| Garnets | ||
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| Pyrope (IR LO-TO) | Grossular (IR LO-TO) | Andradite (IR LO-TO) |
| Grossular (Raman TO) | Uvarovite (IR/Raman TO) | Spessartine (IR/Raman TO) |
| Almandine (IR/Raman TO) | ||
| Aluminum Hydroxides | |||
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| Bayerite | Gibbsite | Doyleite | Nordstrandite |
| Diaspore | Boehmite | Akdalaite | |
| Syndiotactic Polystyrene Chain models: trans-planar and s(2/1)2 helix | |
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| Trans-planar | s(2/1)2 Helix |
| Metal-Organic Frameworks (MOFs) | |
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| Nanostructures | |||
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| Carbon nanotubes | Boron nitride nanotubes | ||
| (10,0) | (16,0) | (12,0) | (30,0) |
| (22,0) | (28,0) | (60,0) | |
| MgO nanotubes | ZnO nanotubes | ||
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| (12,0) | (24,0) | (4,4) | |
| (60,0) | |||
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