Sykes, Dan - The Pennsylvania State University

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Instructional Laboratory Chemistry Undergraduate Academic Advisors Advisor

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Bandura, A.V., Sykes, D.G., Kubicki, J.D. and Evarestov, R.A. Adsorption of water on the TiO 2 (Rutile) (110) surface: A comparison of periodic and embedded cluster calculations. Journal of Physical Chemistry A 108, No. 23, 7844-7853. (2004) Kubicki, J.D. and Sykes, D.G. Ab initio calculation of 1H, 17O, 27Al and 29Si NMR parameters, vibrational frequencies and bonding energetics in hydrous silica and Na-aluminosilicate glasses. Geochimica et Cosmochimica Acta 68, 3909-3918. (2004) Kubicki, J.D., Sykes, D. and Apitz, S.E., Ab Initio Calculation of Aqueous Aluminum and Aluminum-Carboxylate Energetics and NMR Chemical Shifts, J. Phys. Chem. A, 103, 903-915 (1999). Sykes, D., Kubicki, J.D. and Farrar, T.C., Basis Set Dependency of 27Al and 29Si Chemical Shieldings and Application to Structural Models of Hydrous Aluminosilicate Glasses, J. Phys. Chem., 101, no. 14, 2715-2722 (1997). Sykes, D. and Kubicki, J.D., Four-membered Rings in Silica and Aluminosilicate Glasses, American Mineralogist, 81, no. 3 and 4, 265-272 (1996). Kubicki, J.D. and Sykes, D., Molecular Orbital Calculations on The Vibrational Spectra of Q3 T-(OH) Species and The Hydrolysis of a 3-Membered Aluminosilicate Ring, Geochimica et Cosmochimica Acta, 59, no. 23, 4791-4797 (1995). Sykes, D., Rossman, G.R., Veblen, D. and Grew, E.S., Enhanced H and F Incorporation in Borian Olivines from The Tayozhnoye Deposit, Russia, American Mineralogist,79, no. 9 and 10, 904-908 (1994).