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De La Pierre, M., Noel, Y., Mustapha, S., Meyer, A., D'Arco, P., Dovesi, R. (2013) The infrared vibrational spectrum of andradite-grossular solid solutions: A quantum mechanical simulation. American Mineralogist, 98 (5) 966-976 doi:10.2138/am.2013.4156

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Reference TypeJournal (article/letter/editorial)
TitleThe infrared vibrational spectrum of andradite-grossular solid solutions: A quantum mechanical simulation
JournalAmerican Mineralogist
AuthorsDe La Pierre, M.Author
Noel, Y.Author
Mustapha, S.Author
Meyer, A.Author
D'Arco, P.Author
Dovesi, R.Author
Year2013 (May 1)Volume98
Issue5
PublisherMineralogical Society of America
DOIdoi:10.2138/am.2013.4156Search in ResearchGate
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Mindat Ref. ID397229Long-form Identifiermindat:1:5:397229:2
GUID0
Full ReferenceDe La Pierre, M., Noel, Y., Mustapha, S., Meyer, A., D'Arco, P., Dovesi, R. (2013) The infrared vibrational spectrum of andradite-grossular solid solutions: A quantum mechanical simulation. American Mineralogist, 98 (5) 966-976 doi:10.2138/am.2013.4156
Plain TextDe La Pierre, M., Noel, Y., Mustapha, S., Meyer, A., D'Arco, P., Dovesi, R. (2013) The infrared vibrational spectrum of andradite-grossular solid solutions: A quantum mechanical simulation. American Mineralogist, 98 (5) 966-976 doi:10.2138/am.2013.4156
In(2013, May) American Mineralogist Vol. 98 (5) Mineralogical Society of America

Mineral Pages

MineralCitation Details
Andradite-Grossular Series

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Dovesi, R., De La Pierre, M., Ferrari, A. M., Pascale, F., Maschio, L., Zicovich-Wilson, C. M. (2011) The IR vibrational properties of six members of the garnet family: A quantum mechanical ab initio study. American Mineralogist, 96 (11) 1787-1798 doi:10.2138/am.2011.3804
Lacivita, Valentina, D’Arco, Philippe, Orlando, Roberto, Dovesi, Roberto, Meyer, Alessio (2013) Anomalous birefringence in andradite–grossular solid solutions: a quantum-mechanical approach. Physics and Chemistry of Minerals, 40 (10) 781-788 doi:10.1007/s00269-013-0612-6
Prencipe, M., Noel, Y., Bruno, M., Dovesi, R. (2009) The vibrational spectrum of lizardite-1T [Mg3Si2O5(OH)4] at the   point: A contribution from an ab initio periodic B3LYP calculation. American Mineralogist, 94 (7) 986-994 doi:10.2138/am.2009.3127
McAloon, B. P., Hofmeister, A. M. (1995) Single-crystal IR spectroscopy of grossular-andradite garnets. American Mineralogist, 80 (11) 1145-1156 doi:10.2138/am-1995-11-1205
Meyer, A., D’Arco, Ph., Orlando, R., Dovesi, R. (2009) Andradite−Uvarovite Solid Solutions. An ab Initio All-Electron Quantum Mechanical Simulation with the CRYSTAL06 Code. The Journal of Physical Chemistry C, 113 (32). 14507-14511 doi:10.1021/jp903654w
Maschio, Lorenzo, Demichelis, Raffaella, Orlando, Roberto, Pierre, Marco De La, Mahmoud, Agnes, Dovesi, Roberto (2014) The Raman spectrum of grossular garnet: a quantum mechanical simulation of wavenumbers and intensities. Journal of Raman Spectroscopy, 45 (8). 710-715 doi:10.1002/jrs.4527
Sanna, R., De Giudici, G., Scorciapino, A. M., Floris, C., Casu, M. (2013) Investigation of the hydrozincite structure by infrared and solid-state NMR spectroscopy. American Mineralogist, 98 (7) 1219-1226 doi:10.2138/am.2013.4158
Lacivita, Valentina, Erba, Alessandro, Dovesi, Roberto, D'Arco, Philippe (2014) Elasticity of grossular–andradite solid solution: an ab initio investigation. Physical Chemistry Chemical Physics, 16 (29). 15331pp. doi:10.1039/c4cp01597e
Salustro, S., Gentile, F.S., D'Arco, P., Civalleri, B., Rérat, M., Dovesi, R. (2018) Hydrogen atoms in the diamond vacancy defect. A quantum mechanical vibrational analysis. Carbon, 129. 349-356 doi:10.1016/j.carbon.2017.12.011
Carteret, Cédric, De La Pierre, Marco, Dossot, Manuel, Pascale, Fabien, Erba, Alessandro, Dovesi, Roberto (2013) The vibrational spectrum of CaCO3aragonite: A combined experimental and quantum-mechanical investigation. The Journal of Chemical Physics, 138 (1). 14201pp. doi:10.1063/1.4772960
Tavakoli, A. H., Navrotsky, A. (2013) Enthalpies of formation of Fe-Ni monosulfide solid solutions. American Mineralogist, 98 (8) 1508-1515 doi:10.2138/am.2013.4450
 
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