Selected Publications: 5 most closely related to this project Kubicki J.D. and Heaney P.J. (2003) Molecular orbital modeling of aqueous organosilicon complexes: implications for silica biomineralization. Geochim. Cosmochim. Acta , 67, 4113. Bandura A.V. and Kubicki J.D. (2003) Derivation of force field parameters for TiO 2-H 2O systems from ab initio calculations. Journal of Physical Chemistry B, 107 : 11072 . Felipe M., Xiao Y. and Kubicki J.D. (2001) Molecular orbital modeling and transition state theory in the geosciences. In Molecular Modeling Theory: Applications in the Geosciences, Reviews in Mineralogy and Geochemistry, Geochemical Society of America , 42, 485-531. Kubicki J.D., Itoh M.J., Schroeter L.M., Nguyen B.N., and Apitz S.E. (1999) Attenuated total reflectance Fourier-transform infrared spectroscopy of carboxylic acids adsorbed onto mineral surfaces. Geochim. Cosmochim. Acta, 63, 2709-2725. Kubicki J.D., Itoh M.J., Schroeter L.M., Apitz S.E. (1997) The bonding mechanisms of salicylic acid adsorbed onto illite clay: An ATR-FTIR and MO study. Env. Sci. Tech.31, 1151-1156.
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