Advanced spectroscopic characterization of calcium carbonate polymorphs: Ab initio dynamic approaches and experimental Raman
The vibrational spectroscopic properties of crystalline anhydrous calcium carbonate polymorphs, i.e. calcite, aragonite and vaterite, are computed with state-of-the-art computational techniques. We present a refined protocol that significantly enhances the quality of spectra obtained via the autocor...
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| Main Authors: | , , , , , , , , |
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| Format: | Article |
| Language: | English |
| Published: |
Elsevier
2025-08-01
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| Series: | Materials & Design |
| Subjects: | |
| Online Access: | http://www.sciencedirect.com/science/article/pii/S0264127525005854 |
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