Recent Publications

522. "Theoretical Analysis of the Mechanism for the Oxidative Carbonylation of Toluene to P-Toluic Acid by Rhodium Complexes" (with X. B. Zheng) Journal of Physical Chemistry C, 112 (6) 2129-2136 (2008).

523. "Recent Advances in Catalysis--Selected Papers from APCAT 4 (Singapore, 6-8 December 2006)" (with Y. Chen, W. M. Lau, K. H. Lim, T. T. Y. Tan, X. Wang, R. Xu, Y. Yang, C. Li, Y. Iwasawa, and J. Moulijn) Catalysis Today, 131 (1-4) 1 (2008).

524. "An Investigation of the Reduction and Reoxidation of Isolated Vanadate Sites Supported on MCM-48" (with J. L. Bronkema) Catalysis Letters, 122 (1-2) 1-8 (2008).

525. "A Theoretical Investigation of Dimethyl Carbonate Synthesis on Cu-Y Zeolite" (with X. B. Zheng) Journal of Physical Chemistry C, 112 (13) 5043-5047 (2008).

526. "Mechanistic Studies of Methanol Oxidation to Formaldehyde on Isolated Vanadate Sites Supported on High Surface Area Zirconia" (with J. L. Bronkema) Journal of Physical Chemistry C, 112 (16) 6404-6412 (2008).

527. "The Mechanism of Dimethyl Carbonate Synthesis on Cu-Exchanged Zeolite Y" (with Y. Zhang) Journal of Catalysis, 255 (2) 153-161 (2008).

528. "Analysis of Charge Transfer Effects in Molecular Complexes Based on Absolutely Localized Molecular Orbitals" (with R. Z. Khaliullin and M. Head-Gordon) Journal of Chemical Physics, 128 (18) 184112 (2008).

529. "Synthesis of Precursors to Ethylene Glycol from Formaldehyde and Methyl Formate Catalyzed by Heteropoly Acids" (with F. E. Celik and H. Lawrence) Journal of Molecular Catalysis A-Chemical, 288 (1-2) 87-96 (2008).

530. "A Theoretical Investigation of the Selective Oxidation of Methanol to Formaldehyde on Isolated Vanadate Species Supported on Titania" (with A. Goodrow) Journal of Physical Chemistry C, 112 (34) 13204-13214 (2008).

531. "Theoretical Investigation of Benzene Alkylation with Ethene over H-ZSM-5" (with N. Hansen T. Brueggemann, and F. J. Keil) Journal of Physical Chemistry C, 112 (39) 15402-15411 (2008).

532. "Development and Application of a Hybrid Method Involving Interpolation and Ab Initio Calculations for the Determination of Transition States" (with A. Goodrow, M. Head-Gordon) Journal of Chemical Physics, 129 (17) 174109 (2008).