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Rustad, James R., Felmy, Andrew R., Hay, Benjamin P. (1996) Molecular statics calculations for iron oxide and oxyhydroxide minerals: Toward a flexible model of the reactive mineral-water interface. Geochimica et Cosmochimica Acta, 60 (9) 1553-1562 doi:10.1016/0016-7037(96)00046-4

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Reference TypeJournal (article/letter/editorial)
TitleMolecular statics calculations for iron oxide and oxyhydroxide minerals: Toward a flexible model of the reactive mineral-water interface
JournalGeochimica et Cosmochimica Acta
AuthorsRustad, James R.Author
Felmy, Andrew R.Author
Hay, Benjamin P.Author
Year1996 (May)Volume60
Issue9
PublisherElsevier BV
DOIdoi:10.1016/0016-7037(96)00046-4Search in ResearchGate
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Mindat Ref. ID346421Long-form Identifiermindat:1:5:346421:6
GUID0
Full ReferenceRustad, James R., Felmy, Andrew R., Hay, Benjamin P. (1996) Molecular statics calculations for iron oxide and oxyhydroxide minerals: Toward a flexible model of the reactive mineral-water interface. Geochimica et Cosmochimica Acta, 60 (9) 1553-1562 doi:10.1016/0016-7037(96)00046-4
Plain TextRustad, James R., Felmy, Andrew R., Hay, Benjamin P. (1996) Molecular statics calculations for iron oxide and oxyhydroxide minerals: Toward a flexible model of the reactive mineral-water interface. Geochimica et Cosmochimica Acta, 60 (9) 1553-1562 doi:10.1016/0016-7037(96)00046-4
In(1996, May) Geochimica et Cosmochimica Acta Vol. 60 (9) Elsevier BV

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Rustad, James R., Felmy, Andrew R., Hay, Benjamin P. (1996) Molecular statics calculations of proton binding to goethite surfaces: A new approach to estimation of stability constants for multisite surface complexation models. Geochimica et Cosmochimica Acta, 60 (9) 1563-1576 doi:10.1016/0016-7037(96)00035-x
Rustad, James R., Felmy, Andrew R., Bylaska, Eric J. (2003) Molecular simulation of the magnetite-water interface. Geochimica et Cosmochimica Acta, 67 (5) 1001-1016 doi:10.1016/s0016-7037(02)00900-6
Felmy, Andrew R, Rustad, James R (1998) Molecular Statics Calculations of Proton Binding to Goethite Surfaces: Thermodynamic Modeling of the Surface Charging and Protonation of Goethite in Aqueous Solution. Geochimica et Cosmochimica Acta, 62 (1) 25-31 doi:10.1016/s0016-7037(97)00325-6
Rustad, James R., Hay, Benjamin P. (1995) A molecular dynamics study of solvated orthosilicic acid and orthosilicate anion using parameterized potentials. Geochimica et Cosmochimica Acta, 59 (7) 1251-1257 doi:10.1016/0016-7037(95)00041-w
Rustad, James R, Dixon, David A, Felmy, Andrew R (2000) Intrinsic acidity of aluminum, chromium (III) and iron (III) μ3-hydroxo functional groups from ab initio electronic structure calculations. Geochimica et Cosmochimica Acta, 64 (10) 1675-1680 doi:10.1016/s0016-7037(99)00384-1
Henry, P., Guy, C., Cattin, R., Dudoignon, P., Sornein, J.F., Caristan, Y. (1996) A convective model of water flow in Mururoa basalts. Geochimica et Cosmochimica Acta, 60 (12) 2087-2109 doi:10.1016/0016-7037(96)00077-4
Millard, Andrew R., Hedges, Robert E.M. (1996) A diffusion-adsorption model of uranium uptake by archaeological bone. Geochimica et Cosmochimica Acta, 60 (12) 2139-2152 doi:10.1016/0016-7037(96)00050-6
Rustad, James R., Felmy, Andrew R. (2005) The influence of edge sites on the development of surface charge on goethite nanoparticles: A molecular dynamics investigation. Geochimica et Cosmochimica Acta, 69 (6) 1405-1411 doi:10.1016/j.gca.2004.08.030
Hochella, Michael F. (1996) Crystallography. Geochimica et Cosmochimica Acta, 60 (19) 3762 doi:10.1016/0016-7037(96)83281-9
Liang, Yong, Baer, Donald R., McCoy, James M., Amonette, James E., Lafemina, John P. (1996) Dissolution kinetics at the calcite-water interface. Geochimica et Cosmochimica Acta, 60 (23) 4883-4887 doi:10.1016/s0016-7037(96)00337-7
Koeberl, Christian (1996) Book review. Geochimica et Cosmochimica Acta, 60 (16) 3163 doi:10.1016/0016-7037(96)81558-4
 
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