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recherche:projets:wurm [2017/01/19 11:22] cicaluga [Presentation] |
recherche:projets:wurm [2017/01/19 11:34] cicaluga [Presentation] |
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| The Raman spectra is plotted interactively, the user being able to visualize both single-crystal spectra and powder spectra and also to personalize the plots by rescaling, coloring etc. The information regarding the spectra is freely available for download. The database contains static tables for presenting the crystal structure information, for listing the frequency and the symmetry identification of the different modes in the zone-center and for reporting the Raman tensors. Interactive jmol-based animations illustrate the atomic displacement patterns of the different modes. Single-Raman spectra are available as a function of crystal orientation, for a basis of building a Raman microscope: | The Raman spectra is plotted interactively, the user being able to visualize both single-crystal spectra and powder spectra and also to personalize the plots by rescaling, coloring etc. The information regarding the spectra is freely available for download. The database contains static tables for presenting the crystal structure information, for listing the frequency and the symmetry identification of the different modes in the zone-center and for reporting the Raman tensors. Interactive jmol-based animations illustrate the atomic displacement patterns of the different modes. Single-Raman spectra are available as a function of crystal orientation, for a basis of building a Raman microscope: | ||
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| As of January 1st, 2017, the database contains 450 spectra covering 322 minerals. Selected calculations are performed at high pressures, several instabilities are identified and structural phase transitions are predicted at low temperatures. | As of January 1st, 2017, the database contains 450 spectra covering 322 minerals. Selected calculations are performed at high pressures, several instabilities are identified and structural phase transitions are predicted at low temperatures. | ||
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| Creative Commons License: The WURM project is licensed under a [[http://creativecommons.org/licenses/by-nc-sa/3.0/|Creative Commons Attribution-Noncommercial-Share Alike 3.0 Unported License]]. | Creative Commons License: The WURM project is licensed under a [[http://creativecommons.org/licenses/by-nc-sa/3.0/|Creative Commons Attribution-Noncommercial-Share Alike 3.0 Unported License]]. | ||
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| * **Theoretical modeling of Raman spectra**, R. Caracas and E. Bobocioiu in Raman Spectroscopy Applied to Earth Sciences and Cultural Heritage EMU Notes in Mineralogy volume 12, Eds. J. Dubessy, M.-C. Caumon, F. Rull. Publisher: EMU (2012). | * **Theoretical modeling of Raman spectra**, R. Caracas and E. Bobocioiu in Raman Spectroscopy Applied to Earth Sciences and Cultural Heritage EMU Notes in Mineralogy volume 12, Eds. J. Dubessy, M.-C. Caumon, F. Rull. Publisher: EMU (2012). | ||
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| ===== CBP contribution to the project ===== | ===== CBP contribution to the project ===== | ||