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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

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Reference TypeJournal (article/letter/editorial)
TitleMolecular orbital calculations on H6Si2O7 with a variable Si-O-Si angle: Implications for the high-pressure vibrational spectra of silicate glasses
JournalAmerican Mineralogist
AuthorsKubicki, J. D.Author
Sykes, DanAuthor
Year1993Volume78
Issue3-4
PublisherMineralogical Society of America
Download URLhttp://www.minsocam.org/ammin/AM78/AM78_253.pdf+
Mindat Ref. ID529436Long-form Identifiermindat:1:5:529436:1
GUID0
Full ReferenceKubicki, 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
Plain TextKubicki, 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
In(1993) American Mineralogist Vol. 78 (3-4) Mineralogical Society of America

See Also

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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. (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., 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., 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. (1993) Molecular orbital calculations of vibrations in three-membered aluminosilicate rings. Physics and Chemistry of Minerals, 19 (6) doi:10.1007/bf00202975
Kubicki, J. D. (2001, January 1st) Interpretation of Vibrational Spectra Using Molecular Orbital Theory Calculations. Reviews in Mineralogy and Geochemistry Vol. 42. Mineralogical Society of America p.459-483. doi:10.2138/rmg.2001.42.13
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
Gibbs, G. V., Hamil, M. M., Bartell, L. S., Yow, and Hsiukang (1972) Correlations between Si-O bond length, Si-O-Si angle and bond overlap populations calculated using extended Huckel molecular orbital theory. American Mineralogist, 57 (11-12) 1578-1613
Kubicki, J. D., Hemley, R. J., Hofmeister, A. M. (1992) Raman and infrared study of pressure-induced structural changes in MgSiO3, CaMgSi2O6, and CaSiO3 glasses. American Mineralogist, 77 (3-4) 258-269
Kohn, S.C., Smith, M.E., Dupree, R. (1994) Comment on “A model for H2O solubility mechanisms in albite melts from infrared spectroscopy and molecular orbital calculations” by D. Sykes and J. D. Kubicki. Geochimica et Cosmochimica Acta, 58 (4) 1377-1380 doi:10.1016/0016-7037(94)90389-1
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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