Recent Publications- 2004

438. "Catalyzed Sulfonation of Methane to Methanesulfonic Acid" (with Sudip Mukhopadhyay) J. Mol. Chem., 211, 59-65 (2004).

439. "Effects of Molydena on the Catalytic Properties of Vanadia Domains Supported on Alumina for Oxidative Dehydrogenation of Propane" (with Hongxing Dai and Enrique Iglesia) J. Catal. 221, 491-499 (2004).

440. "Synthesis of Methanesulfonic Chloride (MSC) from Methane and Sulfuryl Chloride" (with Sudip Mukhopahyay, Mark Zerella, Vijay Srinivas, and Gary S. Smith) Chem. Comm., 4, 472-473 (2004).

441. "Application of In Situ Surface-Enhanced Raman Spectrsocopy (SERS) to the Study of Citrate Oxidation on Silica-Supported Silver Nanoparticles" (with Hiroaki Tada and Jason Bronkema) Catal. Lett., 92, 93-99 (2004).

442. "Extent of Reduction of Vanadium Oxides during Catalytic Oxidation of Alkanes Measured by In-Situ UV-Visible Spectroscopy" (with Morris Argyle, Kaidong Chen, Carlo Resini, Catherine Krebs, and Enrique Iglesia) J. Phys. Chem. B, 108, 2345-2353 (2004).

443. "Fast Methods for Resumming Matrix Polynomials and Chebyshev Matrix Polynomials" (with WanZhen Liang, Roi Baer, Chandra Saravanan, Yihan Shao, and Martin Head-Gordon) J. Comp. Phys., 194, 575-587 (2004).

444. "Density Functional Theory Investigation of the Direct Oxidation of Methane on a Fe-Exchanged Zeolite" (with WanZhen Liang, Martin Head-Gordon, and Arup K. Chakraborty) J. Phys. Chem. B., 108, 4362-4368 (2004).

445. "A Growing String Method for Determining for Determining Transition States: Comparison to the Nudged Elastic Band and String Methods" (with Baron Peters, Andreas Heyden, and Arup K. Chakraborty) J. Chem. Phys., 120, 7877-7886 (2004).

446. "Challenges for the Application of Quantum Chemical Calculations to Problems in Catalysis" Molec. Phys., 102, 319-329 (2004).

447. "Nitrous Oxide Decomposition and Surface Oxygen Formation on Fe-ZSM-5" (with Benjamin R. Wood, Jeffrey A. Reimer, Michael T. Janicke, and Kevin C. Ott) J. Catal., 224, 148-155 (2004).

448. "X-ray Adsorption Fine Structure Analysis of the Local Environment of Fe in Fe/Al-MFI" (with Sun Hee Choi, Benjamin R. Wood, Michael T. Janicke, and Kevin C. Ott) J. Phys. Chem. B, 108, 8970-8975 (2004).

449. "Synthesis of Trifluoromethanesulfonic Acid from CHF3" (with Sudip Mukhopadhyay, R. Vijay Srinivas, and Gary S. Smith) Org. Proc. Res. Develop., 8, 660-662 (2004).

450. "Methanol Formation of Fe/Al-MFI via the Oxidation of Methane by Nitrous Oxide" (with Benjamin R. Wood, Jeffrey A. Reimer, Michael T. Janicke, and Kevin C. Ott) J. Catal., 225, 300-306 (2004).

451. "Oxidative dehydrogenation of propane over vanadia-based catalysts supported on high-surface-area mesoporous MgAl2O4" (with Owen R. Evans and T. Don Tilley) J. Catal., 226, 292-300 (2004).

452. "Direct Oxidation of Methane to Acetic Acid Catalyzed by Pd2+ and Cu2+ in the Presence of Molecular Oxygen" (with Mark Zerella and Sudip Mukhopadhyay) Chem. Comm., 17, 1948-1949 (2004).

453. "Direct Sulfonation of Methane to Methanesulfonic Acid by Sulfur Trioxide Catalyzed by Cerium(IV) Sulfate in the Presence of Molecular Oxygen" (with Sudip Mukhopadhyay) Adv. Syn, Catal., 346, 913-916 (2004).

454. "Rate Constants form the Reaction Path Hamiltonian. I Reactive Flux Simulations for Dynamically Corrected Rates" (with Baron Peters and Arup K. Chakraborty) J. Chem. Phys. 121, 4453-4460 (2004).

455. "Rate Constants form the Reaction Path Hamiltonian. II Nonseparable Semiclassical Transition State Theory" (with Baron Peters and Arup K. Chakraborty) J. Chem. Phys. 121, 4461-4466 (2004).

456. "Atomic Level Control over Surface Species via a Molecular Precursor Approach: Ioslated Cu(I) Sites and Cu Nanoparticles Supported on Mesoporous Silica" (with Kyle L. Fujdala, Ian J. Drake, and T. Don Tilley) J. Am. Chem. Soc. 126, 10864-10866.

457. "Pd-Ag Catalyst System for Hydroarylation with Unactivated Arenes and Olefins" (with Dmitry Karshtedt and T. Don Tilley) Organometallics 23, 4169-4171 (2004).

458. "An In Situ Cell for Characterization of Solids by Soft X-ray Absorption" (with I. J. Drake, T. C. N. Liu, Mary Gilles, T. Tyliszczak, A. L. D. Kilcoyne, D. K. Shuh, and R. A. Mathies) Rev. Sci. Inst. 75, 3242-3247 (2004).

459. "Effects of Additives on the Activity and Selectivity of Supported Vanadia Catalysts for the Oxidative Dehydrogenation of Propane" (with Hong Xing Dai, Larry Chen, T. Don Tilley, and Enrique Iglesia) Stud. Surf. Sci. Catal. 147, 679-684 (2004). (PDF unavailable at this time.)

460. "Synthesis of Methanesulfonic Acid and Acetic Acid by the Direct Sulfonation or Carboxylation of Methane" (with Sudip Mukhopadyay and Mark Zerella) Stud. Surf. Sci. Catal. 147, 523-528 (2004). (PDF unavailable at this time.)

461. "Effects of Precursor Composition on the Local Structure of Cu Dispersed on Mesoporous Silica: A Detailed X-Ray Absorption Spectroscopy Study" (with I. J. Drake, K. L. Fujdala, S. Baxamusa, and T. D. Tilley) J. Phys. Chem. B, 108, 18421-18434 (2004).