Recent Publications

505. "A DFT Study of the Mechanism and Kinetics of Methane Oxidation to Formaldehyde Occurring on Silica-Supported Molybdena" (with S. Chempath) Journal of Catalysis, 247, 119-126, (2007).

506. "Mechanistic Study of Iron(III)[Tetrakis(pentafluoropheynyl)Porphyrin Triflate (F20TPP)Fe(OTf) Catalyzed Cyclooctene Epoxidation by Hydrogen Peroxide" (with N. A. Stephenson) Inorganic Chemistry, 46, 2278-2285, (2007).

507. "DFT Studies of the Structure and Vibrational Spectra of Isolated Molybdena Species Supported on Silica" (with S. Chempath, Y. Zhang) Journal of Physical Chemistry C, 111, 1291-1298 (2007).

508. "A Reaction Mechanism for the Nitrous Oxide Decomposition on Binuclear Oxygen Bridged Iron Sites in Fe-ZSM-5" (with N. Hansen, A. Heyden, F. J. Keil) Journal of Physical Chemistry C, 111, 2092-2101 (2007).

509. "Microkinetic modeling of nitrous oxide decomposition on dinuclear oxygen bridged iron sites in Fe-ZSM-5" (with N. Hansen, A. Heyden, F. J. Keil) Journal of Catalysis, 248, 213-225 (2007).

510. "Effects of porphyrin composition on the activity and selectivity of the iron(III) porphyrin catalysts for the epoxidation of cyclooctene by hydrogen peroxide" (with N. A. Stephenson) Journal of Molecular Catalysis A: Chemical, 272, 108-117 (2007).

511. "Foreword", Chemical Engineering Science 62, 3283 (2007).

512. "Microstructure and Solvent Distribution in Cross-Linked Diblock Copolymer Gels" (with D. A. Durkee, E. D. Gomez, M. W. Ellsworth, and N. P. Balsara) Macromolecules, 40, 5103-5110 (2007).

513. "Mechanistic Studies of Methanol Oxidation to Formaldehyde on Isolated Vanadate Sites Supported on MCM-48" (with J. Bronkema) Journal of Physical Chemistry C, 111, 420-430 (2007).

514. "Oxidative Carbonylation of Toluene to P-Toluic Acid Catalyzed by Rhodium in the Presence of Vanadium and Oxygen" (with Joseph J. Zakzeski) Journal of Molecular Catalysis A: Chemical, 276, 8-16 (2007).

515. "Effects of Zeolite Structure and Composition on the Synthesis of Dimethyl Carbonate by Oxidative Carbonylation of Methanol on Cu-Exchanged Y, ZSM-5, and Mordenite" (with Y. Zhang, D. N. Briggs and E. de Smit) Journal of Catalysis 251 443-452 (2007).

516. "Mechanistic Insights into Iron Porphyrin-Catalyzed Olefin Epoxidation by Hydrogen Peroxide: Factors Controlling Activity and Selectivity" (with N. A. Stephenson) Journal of Molecular Catalysis A: Chemical, 275 54-62 (2007).

517. "A Theoretical Investigation of the Selective Oxidation of Methanol to Formaldehyde on Isolated Vanadate Species Supported on Silica" (with A. Goodrow) Journal of Physical Chemistry C, 111 (40) 14753-14761 (2007).

518. "Mechanistic Studies of Methanol Oxidation to Formaldehyde on Isolated Vanadate Sites Supported on High Surface Area Anatase" (with J. L. Bronkema and D. C. Leo) Journal of Physical Chemistry C, 111 (30) 14530-14540 (2007).

519. "Theoretical Study of Solvent Effects on the Thermodynamics of Iron(III) [Tetrakis(pentafluorophenyl)]Porphyrin Chloride Dissociation" (with R. Z. Khaliullin and M. Head-Gordon) Journal of Physical Chemistry B, 111 (37) 10992-10998 (2007).

520. "Density Functional Theory Study of CO Adsorption on Cu(I)-ZSM-5" (with X. B. Zheng and Y. H. Zhang) Journal of Physical Chemistry C, 111 (36) 13442-13451 (2007).

521. "Unravelling the Origin of Intermolecular Interactions Using Absolutely Localized Molecular Orbitals" (with R. Z. Khaliullin, E. A. Cobar, R. C. Lochan, and M. Head-Gordon) Journal of Physical Chemistry A, 111 (36) 8753-8765 (2007).