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UM Chemistry/Faculty/Professor Webster's Publications

Dr. Charles Edwin Webster's Peer Reviewed Publications
  1. R. D. Adams, E. M. Boswell, B. Captain, S. Miao, C. Beddie, C. E. Webster, M. B. Hall, N. Dalal, N. Kaur, D. Zipse. "Disulfido iron–manganese carbonyl cluster complexes: Synthesis, structure, bonding and properties of the radical CpFeMn2(CO)7(μ3-S2)2." J Organometallic Chem 2008, 693, 2732-2738.
  2. L. M. Pérez, C. E. Webster, A. A. Low, M. B. Hall. "Theoretical study of the biologically important dioxo diiron diamond core structures." Theor Chem Acc 2008, 120, 467-478.
  3. A. J. Blake, M. W. George, M. B. Hall, J. McMaster, P. Portius, X. Z. Sun, M. Towrie, C. E. Webster, C. Wilson, S. D. Zaric. "Probing the mechanism of carbon-hydrogen bond activation by photochemically generated hydridotris(pyrazolyl)borato carbonyl rhodium complexes: New experimental and theoretical investigations." Organometallics 2008, 27, 189-201.
  4. T. T. To, C. B. Duke, C. S. Junker, C. M. O'Brien, C. R. Ross, C. E. Barnes, C. E. Webster, T. J. Burkey. "Linkage isomerization as a mechanism for photochromic materials: Cyclopentadienylmanganese tricarbonyl derivatives with chelatable functional groups." Organometallics 2008, 27, 289-296.
  5. B. A. Vastine, C. E. Webster, M. B. Hall. "Carbon-hydrogen bond activation in hydridotris(pyrazolyl)borate Platinum(IV) complexes: Comparison of density functionals, basis sets, and bonding patterns." J Chem Theory Comput 2007, 3, 2268-2281.
  6. C. E. Webster. "Computational insights into degenerate ethylene exchange with a Grubbs-type catalyst." J Am Chem Soc 2007, 129, 7490-7491.
  7. C. E. Webster, M. B. Hall. "Forty Years of Fenske-Hall Molecular Orbital Theory" in Theory and Applications of Computational Chemistry: The First 40 Years, A Volume of Technical and Historical Perspectives, Editors: Clifford E. Dykstra, Gernot Frenking, Kwang S. Kim, and Gustavo Scuseria, Elsevier: New York, 2005, pp 1143-1165.
  8. R. D. Adams, B. Captain, M. B. Hall, J. L. Smith, C. E. Webster. "High nuclearity iridium-platinum clusters: Synthesis, structures, bonding, and reactivity." J Am Chem Soc 2005, 127, 1007-1014.
  9. C. Beddie, C. E. Webster, M. B. Hall. "Urea decomposition facilitated by a urease model complex: a theoretical investigation." Dalton Trans 2005, 3542-3551.
  10. J. F. Hartwig, K. S. Cook, M. Hapke, C. D. Incarvito, Y. B. Fan, C. E. Webster, M. B. Hall. "Rhodium boryl complexes in the catalytic, terminal functionalization of alkanes." J Am Chem Soc 2005, 127, 2538-2552.
  11. C. E. Webster, C. L. Gross, D. M. Young, G. S. Girolami, A. J. Schultz, M. B. Hall, J. Eckert. "Electronic and steric effects on molecular dihydrogen activation in [Cp*OsH4(L)]+ (L = PPh3, AsPh3, and PCy3)." J Am Chem Soc 2005, 127, 15091-15101.
  12. R. D. Adams, B. Captain, W. Fu, M. B. Hall, J. Manson, M. D. Smith, C. E. Webster. "Bimetallic cluster complexes: The synthesis, structures, and bonding of ruthenium carbonyl cluster complexes containing palladium and platinum with the bulky tri-tert-butyl-phosphine ligand." J Am Chem Soc 2004, 126, 5253-5267.
  13. R. D. Adams, B. Captain, W. Fu, M. B. Hall, M. D. smith, C. E. Webster. "Dinuclear ruthenium and iron complexes containing palladium and platinum with tri-tert-butylphosphine ligands: Synthesis, structures, and bonding." Inorg Chem 2004, 43, 3921-3929.
  14. R. D. Adams, B. Captain, J. L. Smith, M. B. Hall, C. L. Beddie, C. E. Webster. "Superloading of tin ligands into rhodium and iridium carbonyl cluster complexes." Inorg Chem 2004, 43, 7576-7578.
  15. R. D. Adams, S. Miao, M. D. Smith, H. Farach, C. E. Webster, J. Manson, M. B. Hall. "Nickel-manganese sulfido carbonyl cluster complexes. Synthesis, structure, and properties of the unusual paramagnetic complexes
    Cp2Ni2Mn(CO)3(μ3-E)2, E = S, Se." Inorg Chem 2004, 43, 2515-2525.
  16. K. S. Cook, C. D. Incarvito, C. E. Webster, Y. B. Fan, M. B. Hall, J. F. Hartwig. "Rhodium silyl boryl hydride complexes: Comparison of bonding and the rates of elimination of borane, silane, and dihydrogen." Rhodium silyl boryl hydride complexes: Comparison of bonding and the rates of elimination of borane, silane, and dihydrogen 2004, 43, 5474-5477.
  17. H. D. Wang, C. E. Webster, L. M. Pérez, M. B. Hall, F. P. Gabbaï. "Reaction of the 1,8-bis(diphenylmethylium)naphthalenediyl dication with fluoride: Formation of a cation containing a C-F→C bridge." J Am Chem Soc 2004, 126, 8189-8196.
  18. C. E. Webster. "High-energy intermediate or stable transition state analogue: Theoretical perspective of the active site and mechanism of β-phosphoglucomutase." J Am Chem Soc 2004, 126, 6840-6841.
  19. C. E. Webster, M. Y. Darensbourg, P. A. Lindahl, M. B. Hall. "Structures and energetics of models for the active site of acetyl-coenzyme a synthase: Role of distal and proximal metals in catalysis." J Am Chem Soc 2004, 126, 3410-3411.
  20. G. Zampella, J. Y. Kravitz, C. E. Webster, P. Fantucci, M. B. Hall, H. A. Carlson, V. L. Pecoraro, L. De Gioia. "Quantum mechanical models of the resting state of the vanadium-dependent haloperoxidase." Inorg Chem 2004, 43, 4127-4136.
  21. K. A. Peterson, Y. M. Li, J. S. Francisco, P. Zou, C. E. Webster, L. M. Pérez, M. B. Hall, S. W. North. "The role of triplet states in the long wavelength absorption region of bromine nitrate." J Chem Phys 2003, 119, 7864-7870.
  22. C. E. Webster, Y. B. Fan, M. B. Hall, D. Kunz, J. F. Hartwig. "Experimental and computational evidence for a boron-assisted, σ-bond metathesis pathway for alkane borylation." J Am Chem Soc 2003, 125, 858-859.
  23. C. E. Webster, M. B. Hall. "De Novo design in organometallic chemistry: stabilizing iridium(V)." Coord Chem Rev 2003, 238, 315-331.
  24. J. Eckert, C. E. Webster, M. B. Hall, A. Albinati, L. M. Venanzi. "The vibrational spectrum of Tp(3,5-Me)RhH2(H2): a computational and inelastic neutron scattering study." Inorg Chim Acta 2002, 330, 240-249.
  25. C. E. Webster, M. B. Hall. "Factors affecting the structure of substituted tris(pyrazolyl)borate rhodium dicarbonyl complexes." Inorg Chim Acta 2002, 330, 268-282; 2002, 336, 168-168.
  26. C. E. Webster, M. B. Hall. "Theoretical studies of inorganic and organometallic reaction mechanisms. 20. Carbon-hydrogen and carbon-carbon bond activation of cyclopropane by cationic iridium(III) and neutral rhodium(I) and iridium(I) complexes." Organometallics 2001, 20, 5606-5613.
  27. C. E. Webster, M. B. Hall. "The theoretical transition state structure of a model complex bears a striking resemblance to the active site structure of DMSO reductase." J Am Chem Soc 2001, 123, 5820-5821.
  28. C. E. Webster, D. A. Singleton, M. J. Szymanski, M. B. Hall, C. Y. Zhao, G. C. Jia, Z. Y. Lin. "Minimum energy structure of hydridotris(pyrazolyl)borato iridium(V) tetrahydride is not a C3v capped octahedron." J Am Chem Soc 2001, 123, 9822-9829.
  29. C. R. Bowers, V. Storhaug, C. E. Webster, J. Bharatam, A. Cottone, R. Gianna, K. Betsey, B. J. Gaffney. "Exploring surfaces and cavities in lipoxygenase and other proteins by hyperpolarized xenon-129 NMR." J Am Chem Soc 1999, 121, 9370-9377.
  30. S. Joerg, C. E. Webster, R. S. Drago, J. Sales. "Extension of the electrostatic-covalent model to 2:1 adducts." Polyhedron 1999, 18, 1097-1106.
  31. C. E. Webster, A. Cottone, R. S. Drago. "Multiple equilibrium analysis description of adsorption on Na-mordenite and H-mordenite." J Am Chem Soc 1999, 121, 12127-12139.
  32. C. E. Webster, R. S. Drago. "The multiple equilibrium analysis quantitative prediction of single and multi-component adsorption isotherms on carbonaceous and zeolitic solids." Microporous Mesoporous Mater 1999, 33, 291-306.
  33. C. E. Webster, R. S. Drago, M. C. Zerner. "A method for characterizing effective pore sizes of catalysts." J Phys Chem B 1999, 103, 1242-1249.
  34. C. E. Webster, J. P. Osegovic, B. J. Scott, S. C. Dias. "A thermodynamic analysis of the Cal-Ad method with respect to gas-solid calorimetry." Microporous Mesoporous Mater 1999, 31, 205-209.
  35. R. S. Drago, C. E. Webster, J. M. McGilvray. "A multiple-process equilibrium analysis of silica gel and HZSM-5." J Am Chem Soc 1998, 120, 538-547.
  36. C. E. Webster, R. S. Drago, M. C. Zerner. "Molecular dimensions for adsorptives." J Am Chem Soc 1998, 120, 5509-5516.

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