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McConnell, J. D. C., De Vita, A., Kenny, S. D., Heine, V. (1997) Determination of the origin and magnitude of Al/Si ordering enthalpy in framework aluminosilicates from ab initio calculations. Physics and Chemistry of Minerals, 25 (1) 15-23 doi:10.1007/s002690050081

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Reference TypeJournal (article/letter/editorial)
TitleDetermination of the origin and magnitude of Al/Si ordering enthalpy in framework aluminosilicates from ab initio calculations
JournalPhysics and Chemistry of Minerals
AuthorsMcConnell, J. D. C.Author
De Vita, A.Author
Kenny, S. D.Author
Heine, V.Author
Year1997 (November 24)Volume25
Issue1
PublisherSpringer Science and Business Media LLC
DOIdoi:10.1007/s002690050081Search in ResearchGate
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Mindat Ref. ID152504Long-form Identifiermindat:1:5:152504:9
GUID0
Full ReferenceMcConnell, J. D. C., De Vita, A., Kenny, S. D., Heine, V. (1997) Determination of the origin and magnitude of Al/Si ordering enthalpy in framework aluminosilicates from ab initio calculations. Physics and Chemistry of Minerals, 25 (1) 15-23 doi:10.1007/s002690050081
Plain TextMcConnell, J. D. C., De Vita, A., Kenny, S. D., Heine, V. (1997) Determination of the origin and magnitude of Al/Si ordering enthalpy in framework aluminosilicates from ab initio calculations. Physics and Chemistry of Minerals, 25 (1) 15-23 doi:10.1007/s002690050081
In(1997, November) Physics and Chemistry of Minerals Vol. 25 (1) Springer Science and Business Media LLC

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Lin, J. S., Payne, M. C., Heine, V., McConnell, J. D. C. (1994) Ab initio calculations on (OH)4 defects in α-quartz. Physics and Chemistry of Minerals, 21 (3) 150-155 doi:10.1007/bf00203145
Thayaparam, S., Heine, V., Dove, M.T., Hammonds, K.D. (1996) A computational study of Al/Si ordering in cordierite. Physics and Chemistry of Minerals, 23 (2) doi:10.1007/bf00202308
Myers, Eva R., Heine, Volker, Dove, Martin T. (1998) Thermodynamics of Al/Al avoidance in the ordering of Al/Si tetrahedral framework structures. Physics and Chemistry of Minerals, 25 (6) 457-464 doi:10.1007/s002690050136
Kenny, Steven D., McConnell, J. Desmond C., Refson, Keith (2000) The ab initio study of the stability of low temperature Al/Si ordered albite, NaAlSi3O8. American Mineralogist, 85 (11) 1681-1685 doi:10.2138/am-2000-11-1211
Thayaparam, S., Dove, MartinT., Heine, Volker (1994) A computer simulation study of Al/Si ordering in gehlenite and the paradox of the low transition temperature. Physics and Chemistry of Minerals, 21 (1) doi:10.1007/bf00205222
McConnell, J D C, Heine, V (1982) Origin of incommensurate structure in the cooperative Jahn-Teller system K2PbCu(NO2)6. Journal of Physics C: Solid State Physics, 15 (11). 2387-2402 doi:10.1088/0022-3719/15/11/019
Bertram, U.C., Heine, Volker, Jones, I.L., Price, GeoffreyD. (1990) Computer modelling of Al/Si ordering in sillimanite. Physics and Chemistry of Minerals, 17 (4) doi:10.1007/bf00200128
McLaren, A. C., Fitz Gerald, J. D. (1987) CBED and ALCHEMI investigation of local symmetry and Al, Si ordering in K-feldspars. Physics and Chemistry of Minerals, 14 (3) 281-292 doi:10.1007/bf00307995
Heine, V, McConnell, J D C (1984) The origin of incommensurate structures in insulators. Journal of Physics C: Solid State Physics, 17 (7). 1199-1220 doi:10.1088/0022-3719/17/7/014
Churakov, S. V., Wunder, B. (2004) Ab-initio calculations of the proton location in topaz-OH, Al 2 SiO 4 (OH) 2. Physics and Chemistry of Minerals, 31 (3) 131-141 doi:10.1007/s00269-003-0365-8
Anisimov, V. I., Elfimov, I. S., Korotin, M. A., Terakura, K. (1997) Orbital and charge ordering inPr1−xCaxMnO3(x=0 and 0.5) from the ab initio calculations. Physical Review B, 55 (23) 15494-15499 doi:10.1103/physrevb.55.15494
 
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