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Kubicki, J.D., Sykes, D.G. (2004) Ab initio calculation of 1H, 17O, 27Al and 29Si NMR parameters, vibrational frequencies and bonding energetics in hydrous silica and Na-aluminosilicate glasses. Geochimica et Cosmochimica Acta, 68 (19) 3909-3918 doi:10.1016/j.gca.2004.03.027

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Reference TypeJournal (article/letter/editorial)
TitleAb initio calculation of 1H, 17O, 27Al and 29Si NMR parameters, vibrational frequencies and bonding energetics in hydrous silica and Na-aluminosilicate glasses
JournalGeochimica et Cosmochimica Acta
AuthorsKubicki, J.D.Author
Sykes, D.G.Author
Year2004 (October)Volume68
Issue19
PublisherElsevier BV
DOIdoi:10.1016/j.gca.2004.03.027Search in ResearchGate
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Mindat Ref. ID349331Long-form Identifiermindat:1:5:349331:5
GUID0
Full ReferenceKubicki, J.D., Sykes, D.G. (2004) Ab initio calculation of 1H, 17O, 27Al and 29Si NMR parameters, vibrational frequencies and bonding energetics in hydrous silica and Na-aluminosilicate glasses. Geochimica et Cosmochimica Acta, 68 (19) 3909-3918 doi:10.1016/j.gca.2004.03.027
Plain TextKubicki, J.D., Sykes, D.G. (2004) Ab initio calculation of 1H, 17O, 27Al and 29Si NMR parameters, vibrational frequencies and bonding energetics in hydrous silica and Na-aluminosilicate glasses. Geochimica et Cosmochimica Acta, 68 (19) 3909-3918 doi:10.1016/j.gca.2004.03.027
In(2004, October) Geochimica et Cosmochimica Acta Vol. 68 (19) Elsevier BV

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Xue, Xianyu, Kanzaki, Masami (2008) Structure of hydrous aluminosilicate glasses along the diopside–anorthite join: A comprehensive one- and two-dimensional 1H and 27Al NMR study. Geochimica et Cosmochimica Acta, 72 (9) 2331-2348 doi:10.1016/j.gca.2008.01.022
Malfait, Wim J., Xue, Xianyu (2010) The nature of hydroxyl groups in aluminosilicate glasses: Quantifying Si–OH and Al–OH abundances along the SiO2–NaAlSiO4 join by 1H, 27Al–1H and 29Si–1H NMR spectroscopy. Geochimica et Cosmochimica Acta, 74 (2) 719-737 doi:10.1016/j.gca.2009.10.036
Kim, Eun Jeong, Fei, Yingwei, Lee, Sung Keun (2018) Effect of pressure on the short-range structure and speciation of carbon in alkali silicate and aluminosilicate glasses and melts at high pressure up to 8 GPa: 13C, 27Al, 17O and 29Si solid-state NMR study. Geochimica et Cosmochimica Acta, 224. 327-343 doi:10.1016/j.gca.2018.01.006
Podosek, Frank A. (2005) Erratum to Nita Sahai (2004) “Calculation of 29Si NMR shifts of silicate complexes with carbohydrates, amino acids, and multicarboxylic acids: Potential role in biological silica utilization”, Geochimica et Cosmochimica Acta 68, 227–237. Geochimica et Cosmochimica Acta, 69 (21) 5137 doi:10.1016/j.gca.2005.05.004
Xue, X. (2009) Water speciation in hydrous silicate and aluminosilicate glasses: Direct evidence from 29Si-1H and 27Al-1H double-resonance NMR. American Mineralogist, 94 (2) 395-398 doi:10.2138/am.2009.3088
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