Criscenti, Louise J., Kubicki, James D., Brantley, Susan L. (2006) Silicate Glass and Mineral Dissolution:  Calculated Reaction Paths and Activation Energies for Hydrolysis of a Q3Si by H3O+Using Ab Initio Methods. The Journal of Physical Chemistry A, 110 (1). 198-206 doi:10.1021/jp044360a

See Also

These are possibly similar items as determined by title/reference text matching only.

	Hamilton, James P., Brantley, Susan L., Pantano, Carlo G., Criscenti, Louise J., Kubicki, James D. (2001) Dissolution of nepheline, jadeite and albite glasses: toward better models for aluminosilicate dissolution. Geochimica et Cosmochimica Acta, 65 (21) 3683-3702 doi:10.1016/s0016-7037(01)00724-4
	Criscenti, Louise J., Brantley, Susan L., Mueller, Karl T., Tsomaia, Natia, Kubicki, James D. (2005) Theoretical and 27Al CPMAS NMR investigation of aluminum coordination changes during aluminosilicate dissolution. Geochimica et Cosmochimica Acta, 69 (9) 2205-2220 doi:10.1016/j.gca.2004.10.020
	Dobbs, Kerwin D., Dixon, David A. (1993) Prediction of activation energies for the exchange reaction H + H'X .fwdarw. H' + HX by ab initio molecular orbital methods. The Journal of Physical Chemistry, 97 (10). 2085-2091 doi:10.1021/j100112a006
	Rode, Joanna E., Dobrowolski, Jan Cz. (2006) An ab Initio Study on the Allene−Isocyanic Acid and Ketene−Vinylimine [2 + 2] Cycloaddition Reaction Paths. The Journal of Physical Chemistry A, 110 (10). 3723-3737 doi:10.1021/jp055073p
	Tilocca, Antonio, de Leeuw, Nora H. (2006) Ab Initio Molecular Dynamics Study of 45S5 Bioactive Silicate Glass. The Journal of Physical Chemistry B, 110 (51). 25810-25816 doi:10.1021/jp065146k
	Morrow, Christin P., Kubicki, James D., Mueller, Karl T., Cole, David R. (2010) Description of Mg2+ Release from Forsterite Using Ab Initio Methods. The Journal of Physical Chemistry C, 114 (12). 5417-5428 doi:10.1021/jp9057719
	Rode, Joanna E., Dobrowolski, Jan Cz. (2006) Reaction Paths of the [2 + 2] Cycloaddition of XCY Molecules (X, Y = S or O or CH2). Ab Initio Study. The Journal of Physical Chemistry A, 110 (1). 207-218 doi:10.1021/jp0522260
	Předota, M., Bandura, A. V., Cummings, P. T., Kubicki, J. D., Wesolowski, D. J., Chialvo, A. A., Machesky, M. L. (2004) Electric Double Layer at the Rutile (110) Surface. 1. Structure of Surfaces and Interfacial Water from Molecular Dynamics by Use of ab Initio Potentials. The Journal of Physical Chemistry B, 108 (32). 12049-12060 doi:10.1021/jp037197c
	DeBoer, Gary D., Dodd, James A. (2007) Ab Initio Energies and Product Branching Ratios for the O + C3H6Reaction. The Journal of Physical Chemistry A, 111 (50). 12977-12984 doi:10.1021/jp0755037
	Kubicki, J. D. (2001) Self-Consistent Reaction Field Calculations of Aqueous Al3+, Fe3+, and Si4+:  Calculated Aqueous-Phase Deprotonation Energies Correlated with Experimental ln(Ka) and pKa. The Journal of Physical Chemistry A, 105 (38). 8756-8762 doi:10.1021/jp011793u
	Hunt, Patricia A., Gould, Ian R. (2006) Structural Characterization of the 1-Butyl-3-methylimidazolium Chloride Ion Pair Using ab Initio Methods. The Journal of Physical Chemistry A, 110 (6). 2269-2282 doi:10.1021/jp0547865