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Kubicki, J.D., Sykes, D. (1993) Molecular orbital calculations of vibrations in three-membered aluminosilicate rings. Physics and Chemistry of Minerals, 19 (6) doi:10.1007/bf00202975

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Reference TypeJournal (article/letter/editorial)
TitleMolecular orbital calculations of vibrations in three-membered aluminosilicate rings
JournalPhysics and Chemistry of Minerals
AuthorsKubicki, J.D.Author
Sykes, D.Author
Year1993 (January)Volume19
Issue6
PublisherSpringer Science and Business Media LLC
DOIdoi:10.1007/bf00202975Search in ResearchGate
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Mindat Ref. ID152070Long-form Identifiermindat:1:5:152070:9
GUID0
Full ReferenceKubicki, J.D., Sykes, D. (1993) Molecular orbital calculations of vibrations in three-membered aluminosilicate rings. Physics and Chemistry of Minerals, 19 (6) doi:10.1007/bf00202975
Plain TextKubicki, J.D., Sykes, D. (1993) Molecular orbital calculations of vibrations in three-membered aluminosilicate rings. Physics and Chemistry of Minerals, 19 (6) doi:10.1007/bf00202975
In(1993, January) Physics and Chemistry of Minerals Vol. 19 (6) Springer Science and Business Media LLC

See Also

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Kubicki, J.D., Sykes, Dan, Rossman, GeorgeR. (1993) Calculated trends of oh infrared stretching vibrations with composition and structure in aluminosilicate molecules. Physics and Chemistry of Minerals, 20 (6) doi:10.1007/bf00203113
Kubicki, J.D., Sykes, Dan (1995) Molecular orbital calculations on the vibrational spectra of Q3 T-(OH) species and the hydrolysis of a three-membered aluminosilicate ring. Geochimica et Cosmochimica Acta, 59 (23) 4791-4797 doi:10.1016/0016-7037(95)00325-8
Sykes, Dan, Kubicki, J. D. (1996) Four-membered rings in silica and aluminosilicate glasses. American Mineralogist, 81 (3) 265-272 doi:10.2138/am-1996-3-401
Kubicki, J.D., Toplis, M.J. (2002) Molecular orbital calculations on aluminosilicate tricluster molecules: Implications for the structure of aluminosilicate glasses. American Mineralogist, 87 (5) 668-678 doi:10.2138/am-2002-5-609
Sykes, Dan, Kubicki, J.D. (1993) A model for H2O solubility mechanisms in albite melts from infrared spectroscopy and molecular orbital calculations. Geochimica et Cosmochimica Acta, 57 (5) 1039-1052 doi:10.1016/0016-7037(93)90039-y
Kubicki, J.D., Lasaga, A.C. (1993) Molecular dynamics simulations of interdiffusion in MgSiO3-Mg2SiO4 melts. Physics and Chemistry of Minerals, 20 (4) doi:10.1007/bf00208139
Kubicki, J.D., Blake, G.A., Apitz, S.E. (1997) Molecular orbital calculations for modeling acetate-aluminosilicate adsorption and dissolution reactions. Geochimica et Cosmochimica Acta, 61 (5) 1031-1046 doi:10.1016/s0016-7037(96)00399-7
Kubicki, J. D., Sykes, Dan (1993) Molecular orbital calculations on H6Si2O7 with a variable Si-O-Si angle: Implications for the high-pressure vibrational spectra of silicate glasses. American Mineralogist, 78 (3-4) 253-259
Sykes, Dan, Kubicki, J. D., Farrar, Thomas C. (1997) Molecular Orbital Calculation of27Al and29Si NMR Parameters in Q3and Q4Aluminosilicate Molecules and Implications for the Interpretation of Hydrous Aluminosilicate Glass NMR Spectra. The Journal of Physical Chemistry A, 101 (14). 2715-2722 doi:10.1021/jp963891z
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
Sykes, Dan, Kubicki, J.D. (1994) Reply to the comment by S.C. Kohn, M.E. Smith, and R. Dupree on “A model for H2O solubility mechanisms in albite melts from infrared spectroscopy and molecular orbital calculations”. Geochimica et Cosmochimica Acta, 58 (4) 1381-1384 doi:10.1016/0016-7037(94)90390-5
 
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