logo Webster Group
Department of Chemistry
 Mississippi State University
 Phone: (662) 325-7224
ewebster@chemistry.msstate.edu
Peer Reviewed Publications (Undergraduate and High School student coauthors underlined)
  1. P. Wang, N. Le, J. D. McCool, B. Donnadieu, A. N. Erickson, C. E. Webster, X. Zhao, "Photocatalytic Hydrogen Production with A Molecular Cobalt Complex in Alkaline Aqueous Solutions" J Amer Chem Soc 2024, 146(14), 9493-9498. (doi)
  2. E. Fosu, N. Le, T. Abdulraheem, B. Donnadieu, A. L. Patrick, C. E. Webster, T. K. Hollis, "A Cationic Pt(II) Dinitrogen Adduct: Synthesis and Characterization of a CCC-aNHC Pincer Pt Complex with Abnormal N-Heterocyclic Carbene Donor Arms" Organometallics 2024, 43(4), 467-480. (doi)
  3. J. Mensah, V. K. Adiraju, J. D. Cope, R. W. Lamb, X. X. Li, B. Donnadieu, I. V. Rubtsov, C. E. Webster, T. K. Hollis, "Ligand Reorganization in the Coordination Sphere of a CCC-NHC Pincer Fe Complex and Transient Absorption Spectroscopic Characterization of [(BuCiCiCBu)2Fe]I" Organometallics 2024, 43, 273-283. (doi)
  4. D. M. N. Udayanga, N. Le, E. N. Schwirian, B. Donnadieu, K. Nash, W. Collier, C. E. Webster, and X. Cui "Synthesis of N-Fused Polycyclic Indole Derivatives via Ru(II)-Catalyzed C-H Bond Activation and Intramolecular Hydroarylation" Org. Lett. 2023, 25, 8745-8750. (doi)
  5. N. S. Abeynayake, N. Le, G. Sanchez-Lecuona, B. Donnadieu, C. E. Webster, and V. Montiel-Palma "Unexpected alkyl isomerization at the silicon ligand of an unsaturated Rh complex: combined experiment and theory" Dalton Transactions 2023, 52(44), 16159-16166. (doi)
  6. N. Le, N. L. Chuang, C. M. Oliver, A. V. Samoshin, J. T. Hemphill, K. C. Morris, S. N. Hyland, H. Guan, C. E. Webster, and T. B. Clark "Hidden Role of Borane in Directed C-H Borylation: Rate Enhancement through Autocatalysis" ACS Catalysis, 2023, 13, 12877-12893. (doi)
  7. L. J. Barrios-Vargas, N. S. Abeynayake, C. Secrist, N. Le, C. E. Webster, B. Donnadieu, D. M. Kaphan, A. D. Roy, I. A. Ibarra, V. Montiel-Palma, "Homogeneous versus MOF-supported catalysis: a direct comparison of catalytic hydroboration with Ni tripodal P3E (E = Si, Ge) complexes" Dalton Transactions 2023, 52(26), 8883-8892. (doi)
  8. L. A. Hunt, S. Das, R. W. Lamb, D. Nugegoda, C. Curiac, M. T. Figgins, E. C. Lambert, F. Qu, N. I. Hammer, J. H. Delcamp, C. E. Webster, E. T. Papish, "Ruthenium(II) Complexes of CNC Pincers and Bipyridine in the Photocatalytic CO2 Reduction Reaction to CO Using Visible Light: Catalysis, Kinetics, and Computational Insights ACS Catalysis 2023, 13(9), 5986-5999. (doi)
  9. A. D. Obi, L. A. Freeman, S. J. Coates, A. J. H. Alexis, N. C. Frey, D. A. Dickie, C. E. Webster, R. J. Gilliard, Jr. "Carbene-Calcium Silylamides and Amidoboranes" Organometallics 2022, 41(21), 3064-3072. (doi)
  10. A. D. Obi, N. C. Frey, D. A. Dickie, C. E. Webster, R. J. Gilliard, Jr. "N-Heterocyclic Carbene-Assisted Reversible Migratory Coupling of Aminoborane at Magnesium" Angew. Chem. Int. Ed. 2022, e202211496. (doi)
  11. C. M. Boudreaux, D. Nugegoda, W. Yao, N. Le, N. C. Frey, Q. Li, F. Qu, M. Zeller, C. E. Webster, J. H. Delcamp, E. T. Papish. "Low-Valent Cobalt(I) CNC Pincer Complexes as Catalysts for Light-Driven Carbon Dioxide Reduction" ACS Catalysis 2022, 12(14), 8718-8728. (doi)
  12. G. Liang, M. Zhang, C. E. Webster. "Mechanistic Studies of Oxygen-Atom Transfer (OAT) in the Homogeneous Conversion of N2O by Ru Pincer Complexes" Inorganics 2022, 10, 69. (doi)
  13. K. E. Shelar, N. Le, K. M. Mukeba, S. Dey, B. Farajidizaji, S. Athukorale, C. U. Pittman Jr., C. E. Webster, B. Donnadieu, E. Caldona, D. W. Smith, "Triphenylene containing blue-light emitting semi-fluorinated aryl ether polymers with excellent thermal and photostability" Mater Chem Front 2022, 6, 1391-1404. (doi)
  14. S. Das, D. Nugegoda, W. Yao, F. Qu, M. T. Figgins, R. W. Lamb, C. E. Webster, J. H. Delcamp, E. T. Papish. "Sensitized and Self-Sensitized Photocatalytic Carbon Dioxide Reduction Under Visible Light with Ruthenium Catalysts Shows Enhancements with More Conjugated Pincer Ligands" Euro J Inorg Chem 2022, 2022(8), e202101016. (doi)
  15. O. Oladipupo, S. R. Brown, R. W. Lamb, J. L. Gray, C. G. Cameron, A. R. DeRegnaucourt, N. A. Ward, J. F. Hall, Y. Xu, C. M. Petersen, F. Qu, A. B. Shrestha, M. K. Thompson, M. Bonizzoni, C. E. Webster, S. A. McFarland, Y. Kim, E. T. Papish. "Light-responsive and protic ruthenium compounds bearing bathophenanthroline and dihydroxybipyridine ligands achieve nanomolar toxicity towards breast cancer cells" Photochem Photobiol, 2022, 98, 102-116. (doi)
  16. L. N. Olive, E. V. Dornshuld, C. E. Webster. "The Curious Case of DMSO: A CCSD(T)/CBS(aQ56+d) Benchmark and DFT Study" J Chem Phys, 2021, 155, 114304. (doi)
  17. T. J. Summers, Q. Chenga, M. A. Palma, D.-T. Pham, D. K. Kelso, C. E. Webster, N. J. DeYonker. "Cheminformatic quantum mechanical enzyme model design: a catechol-O-methyltransferase case study" Biophysical J, 2021, 120, 3577-3587. (doi)
  18. N. C. Frey, E. V. Dornshuld, C. E. Webster. "Benchmarking the fluxional processes of organometallic piano-stool complexes" Molecules, 2021, 26, 2310. (doi)
  19. F. Qu, R. W. Lamb, C. G. Cameron, S. Park, O. Oladipupo, J. L. Gray, Y. Xu, H. D. Cole, M. Bonizzoni, Y. Kim, S. A. McFarland, C. E. Webster, E. T. Papish. "Singlet Oxygen Formation vs Photodissociation for Light-Responsive Protic Ruthenium Anticancer Compounds: The Oxygenated Substituent Determines Which Pathway Dominates" Inorg Chem, 2021, 60, 2138-2148. (doi)
  20. R. W. Lamb, A. K. Schrock, M. T. Huggins, C. E. Webster. "Predicting Absorption and Emission Maxima of Polycyclic Aromatic Azaborines: Reliable Transition Energies and Character" J Phys Chem A, 2021, 125, 3-12. (doi)
  21. E. B. Caldona, M. Zhang, G. Liang, T. K. Hollis, C. E. Webster, D. W. Smith, Jr., D. O. Wipf. "Corrosion inhibition of mild steel in acidic medium by simple azole-based aromatic compounds" J Electroanalytical Chem, 2021, 880, 114858. (doi)
  22. P. Wang, G. Liang, C. E. Webster, X. Zhao. "Structure-Functional Analysis of Hydrogen Production Catalyzed by Molecular Cobalt Complexes with Pentadentate Ligands in Aqueous Solutions" Eur J Inorg Chem, 2020, 2020, 3534-3547. (doi) (Front Cover Art)
  23. A. Obi, J. Walley, N. C. Frey, O. Wong, D. Dickie, C. E. Webster, R. J. Gilliard, Jr. "Tris(Carbene)-Stabilization of Monomeric Magnesium Cations: A Neutral, Non-tethered Ligand Approach" Organometallics, 2020, 39, 4329-4339. (doi)
  24. H. Shirley, M. T. Figgins, C. M. Boudreaux, N. P. Liyanage, R. W. Lamb, C. E. Webster, E. T. Papish, J. H. Delcamp "Impact of the Dissolved Anion on the Electrocatalytic Reduction of CO2 to CO with Ruthenium CNC Pincer Complexes" ChemCatChem, 2020, 12, 4879-4885. (doi)
  25. S. Das, D. Nugegoda, F. Qu, C. M. Boudreaux, P. E. Burrow, M. T. Figgins, R. W. Lamb, C. E. Webster, J. H. Delcamp, E. T. Papish. "Structure Function Relationships in Ruthenium Carbon Dioxide Reduction Catalysts with CNC Pincers Containing Donor Groups" Eur J Inorg Chem, 2020, 2709-2717. (doi)
  26. K. E. Krantz, S. L. Weisflog, N. C. Frey, W. Yang, D. A. Dickie, C. E. Webster, R. J. Gilliard, Jr. "Planar, Stair-Stepped, and Twisted: Modulating Structure and Photophysics in Pyrene- and Benzene-Fused N-Heterocyclic Boranes" Chem Eur J, 2020, 26, 10072-10082. (doi)
  27. P. Wang, G. Liang, N. Smith, K. Hill, B. Donnadieu, C. E. Webster, X. Zhao. "Enhanced Hydrogen Evolution in Neutral Water Catalyzed by a Cobalt Complex with a Softer Polypyridyl Ligand" Angew Chem Int Ed, 2020, 59, 12694-12697. (doi)
  28. K. E. Krantz, S. L. Weisflog, W. Yang, D. A. Dickie, N. C. Frey, C. E. Webster, R. J. Gilliard, Jr. "Extremely twisted and bent pyrene-fused N-heterocyclic germylenes" Chem Commun, 2019, 55, 14954-14957. (doi)
  29. P. R. Fontenot, B. Shan, B. Wang, S. Simpson, G, Ragunathan, A. F. Greene, A. Obanda, L. A. Hunt, N, I. Hammer, C. E. Webster, J. T. Mague, R, H. Schmehl, J, P. Donahue. "Photocatalytic H2-Evolution by Homogeneous Molybdenum Sulfide Clusters Supported by Dithiocarbamate Ligands" Inorg Chem, 2019, 58, 16458-16474. (doi)
  30. S. Das, R. R. Rodrigues, R. W. Lamb, F. Qu, E. Reinheimer, C. M. Boudreaux, C. E. Webster, J. H. Delcamp, E. T. Papish. "Highly Active Ruthenium CNC Pincer Photocatalysts for Visible-Light-Driven Carbon Dioxide Reduction" Inorg Chem, 2019, 58, 8012-8020. (doi)
  31. P. Wang, G. Liang, C. L. Boyd, C. E. Webster, X. Zhao "Catalytic H2 Evolution by a Mononuclear Cobalt Complex with a Macrocyclic Pentadentate Ligand" Eur J Inorg Chem, 2019, 2134-2139. (doi)
  32. Y. O. Wong, L. A. Freeman, A. D. Agakidou, D. A. Dickie, C. E. Webster, R. J. Gilliard, Jr. "Two Carbenes versus One in Magnesium Chemistry: Synthesis of Terminal Dihalide, Dialkyl, and Grignard Reagents" Organometallics, 2019, 38, 688-696. (doi)
  33. G. K. Kosgei, D. Breen, R. W. Lamb, M. Y. Livshits, L. A. Crandall, C. J. Ziegler, C. E. Webster, J. J. Rack. "Controlling Photoisomerization Reactivity Through Single Functional Group Substitutions in Ruthenium Phosphine Sulfoxide Complexes" J Am Chem Soc, 2018, 140, 9819-9822. (doi)
  34. P. Wang, G. Liang, M. R. Reddy, M. Long, K. Driskill, C. Lyons, B. Donnadieu, J. C. Bollinger, C. E. Webster, X. Zhao. "Electronic and Steric Tuning of Catalytic H2 Evolution by Cobalt Complexes with Pentadentate Polypyridyl-Amine Ligands" J Am Chem Soc, 2018, 140, 29, 9219-9229. (doi)
  35. J. A. Denny, R. W. Lamb, S. W. Reilly, B. Donnadieu, C. E. Webster, T. K. Hollis. "Investigation of Metallation/Transmetallation Reactions to Synthesize a Series of CCC-NHC Co Pincer Complexes and Their X-ray Structures" Polyhedron, 2018, 151, 568-574. (doi)
  36. H. H. C. Lakmal, J. X. Xu, X. Xu, B. Ahmed, C. Fong, D. J. Szalda, K. Ramig, A. Sygula, C. E. Webster, D. Zhang, X. Cui. "Synthesis of C-unsubstituted 1,2-Diazetidines and their Ring-opening Reactions via Selective N-N Bond Cleavage" J Org Chem, 2018, 83, 9497-9503. (doi)
  37. G. Liang, T. K. Hollis, C. E. Webster. "Computational Analysis of the Intramolecular Oxidative Amination of an Alkene Catalyzed by the Extreme π-loading N-Heterocyclic Carbene Pincer Tantalum(V) Bis(imido) Complex" Organometallics, 2018, 37, 1671-1681. (doi)
  38. A. Huckaba, H. Shirley, R. W. Lamb, S. Guertin, S. Autry, H. Cheema, K. Talukdar, T. Jones, J. Jurss, A. Dass, N. I. Hammer, R. Schmehl, C. E. Webster, J. H. Delcamp. "A Mononuclear Tungsten Photocatalyst for H2 Production" ACS Catal, 2018, 8, 4838-4847. (doi)
  39. Inside Cover Art: D. B. Burks, S. Davis, R. W. Lamb, X. Liu, R. R. Rodrigues, N. P. Liyanage, Y. Sun, C. E. Webster, J. H. Delcamp, E. T. Papish. "Nickel(II) pincer complexes demonstrate that the remote substituent controls catalytic carbon dioxide reduction" Chem Commun, 2018, 54, 3819-3822. (doi)
  40. G. Liang, C. E. Webster. "The Missing Agostomer in the Fluxionality of Cyclohexenylmanganese Tricarbonyl" J Organometallic Chem, 2018, 864, 128-135. (doi)
  41. C. J. Saint-Louis, R. N. Shavnore, C. D. C. McClinton, J. A. Wilson, L. L. Magill, B. M. Brown, R. W. Lamb, C. E. Webster, A. K. Schrock, M. T. Huggins. "Synthesis, computational, and spectroscopic analysis of tunable highly fluorescent BN-1,2-azaborine derivatives containing the N-BOH moiety" Org Biomol Chem, 2017, 15, 10172-10183. (doi)
  42. G. Liang, C. E. Webster. "Phosphoramidate Hydrolysis Catalyzed by Human Histidine Triad Nucleotide Binding Protein 1 (hHint1): A Cluster-model DFT Computational Study" Org Biomol Chem, 2017, 15, 8661-8668. (doi)
  43. T. R. Helgert, C. E. Webster, T. K. Hollis, H. U. Valle, P. Hillesheim, A. G. Oliver. "Free Methylidyne? CCC-NHC Tantalum Bis(imido) Reactivity: Protonation, Rearrangement to a Mixed Unsymmetrical CCC-N-Heterocyclic Carbene/N-Heterocyclic Dicarbene (CCC-NHC-NHDC) Pincer Tantalum Bis(imido) Complex" Inorg Chim Acta, 2017, 469, 164-172. (doi)
  44. G. Liang, N. J. DeYonker, X. Zhao, C. E. Webster. "Prediction of the Reduction Potential in Transition-Metal Containing Complexes: How Expensive? For What Accuracy?" J Comput Chem, 2017, 38, 2430-2438. (doi)
  45. J. D. Cope, N. P. Liyanage, P. J. Kelley, J. A. Denny, E. J. Valente, C. E. Webster, J. H. Delcamp, T. K. Hollis. "Electrocatalytic Reduction of CO2 with CCC-NHC Pincer Nickel Complexes" Chem Commun, 2017, 53, 9442-9445. (doi)
  46. J. D. Cope, J. A. Denny, R. W. Lamb, L. E. McNamara, N. I. Hammer, C. E. Webster, T. K. Hollis. "Synthesis, characterization, photophysics, and a ligand rearrangement of CCC-NHC pincer nickel complexes: Colors, polymorphs, emission, and Raman spectra" J Organometallic Chem, 2017, 845, 258-265. (doi)
  47. S. Siek, D. B. Burks, D. L. Gerlach, G. Liang, J. M. Tesh, C. R. Thompson, F. Qu, J. E. Shankwitz, R. M. Vasquez, N. Chambers, G, J. Szulczewski, D. B. Grotjahn, C. E. Webster, E. T. Papish. "Iridium and Ruthenium Complexes of N-Heterocyclic Carbene- and Pyridinol-Derived Chelates as Catalysts for Aqueous Carbon Dioxide Hydrogenation and Formic Acid Dehydrogenation: The Role of the Alkali Metal" Organometallics, 2017, 36, 1091-1106. (doi)
  48. R. L. Letterman, N. J. DeYonker, T. J. Burkey, C. E. Webster. "Calibrating Reaction Enthalpies: the Use of Density Functional Theory and the Correlation Consistent Composite Approach in the Design of Photochromic Materials" J Phys Chem A, 2016, 120, 9982-9997. (doi)
  49. C. J. Saint-Louis, L. L. Magill, J. A. Wilson, A. R. Schroeder, S. E. Harrell, N. S. Jackson, J. A. Trindell, S. Kim, A. R. Fisch, L. Munro, V. J. Catalano, C. E. Webster, P. P. Vaughan, K. S. Molek, A. K. Schrock, M. T. Huggins. "The Synthesis and Characterization of Highly Fluorescent Polycyclic Azaborine Chromophores" J Organic Chem, 2016, 81, 10955-10963. (doi)
  50. Editor's Choice Cover Article: T. R. Helgert, X. Zhang, H. K. Box, J. A. Denny, H. U. Valle, A. G. Oliver, G. Akurathi, C. E. Webster, T. K. Hollis. "Extreme π-Loading as a Design Element for Accessing Imido Ligand Reactivity. A CCC-NHC Pincer Tantalum Bis(imido) Complex: Synthesis, Characterization, and Catalytic Oxidative Amination of Alkenes" Organometallics, 2016, 35, 3452-3460. (doi)
  51. T. K. Hollis, T. R. Helgert, C. E. Webster, H. U. Valle, A. G. Oliver. "CCC-NHC Tantalum Bis(imido) Reactivity: Protonation or Rearrangement to a Mixed, Unsymmetrical CCC-N-Heterocylic Carbene/N-Heterocyclic Dicarbene (CCC-NHC-NHDC) Pincer Tantalum Bis(imido) Complex" POLYMAT Contributions, 2016, 1, 120-126. (link)
  52. W. D. Clark, K. N. Leigh, C. E. Webster, T. K. Hollis. "Experimental and Computational Studies of the Mechanisms of Hydroamination/Cyclisation of Unactivated α,ω-Amino-alkenes with CCC-NHC Pincer Zr Complexes" Aust J Chem, 2016, 69, 573-582. (doi)
  53. S. W. Reilly, C. E. Webster, T. K. Hollis, H. U. Valle. "Transmetallation from CCC-NHC pincer Zr complexes in the synthesis of air-stable CCC-NHC pincer Co(III) complexes and initial hydroboration trials" Dalton Trans, 2016, 45, 2823-2828. (doi)
  54. S. W. Reilly, G. Akurathi, H. K. Box, H. U. Valle, T. K. Hollis, C. E. Webster. "β-Boration of α,β-unsaturated carbonyl compounds in ethanol and methanol catalyzed by CCC-NHC pincer Rh complexes" J Organometallic Chem 2016, 802, 32-38. (doi)
  55. N. J. DeYonker, C. E. Webster. "The trans-cis Isomerization of Ni(η2-TEMPO)2: Interconnections and Conformational Complexity" Inorg Chim Acta, 2015, 436, 220-229. (doi)
  56. G. E. Tyson, K. Tokmic, C. S. Oian, D. Rabinovich, H. U. Valle, T. K. Hollis, J. T. Kelly, K. A. Cuellar, L. E. McNamara, N. I. Hammer, C. E. Webster, A. G. Oliver, M. Zhang. "Synthesis, characterization, photophysical properties, and catalytic activity of an SCS bis(N-heterocyclic thione) (SCS-NHT) Pd pincer complex" Dalton Trans, 2015, 44, 14475-14482. (doi)
  57. N. J. DeYonker, C. E. Webster. "A Theoretical Study of Phosphoryl Transfers of Tyrosyl-DNA Phosphodiesterase I (Tdp1) and the Possibility of a 'Dead-End' Phosphohistidine Intermediate" Biochemistry, 2015, 54, 4236-4247. (doi)
  58. R. G. Letterman, C. B. Duke, III, T. T. To, T. J. Burkey, C. E. Webster. "Degenerate Pathways for Metallacycle Ring Inversions: A Common Phenomenon Consistent with the Principle of Microscopic Reversibility" Organometallics, 2014, 33, 5928-5931. (doi)
  59. M. Vennampalli, G. Liang, L. Katta, C. E. Webster, X. Zhao. "Electronic Effects on a Mononuclear Co Complex with a Pentadentate Ligand for Catalytic H2 Evolution" Inorg Chem, 2014, 53, 10094-10100. (doi)
  60. J. Gladysz, R. Bedford, M. Fujita, F. Gabbaï, K. Goldberg, P. Holland, J. Kiplinger, M. Krische, J. Louie, C. Lu, J. Norton, M. Petrukhina, T. Ren, S. Stahl, D. Tilley, C. E. Webster, C. White, G. Whiteker. "2013 Organometallics Roundtable" Organometallics, 2014, 33, 1505-1527. (doi)
  61. T. R. Helgert, T. K. Hollis, A. G. Oliver, H. U. Valle, Y. Wu, C. E. Webster. "Synthesis, Characterization, and X-Ray Molecular Structure of Tantalum CCC-N-Heterocyclic Carbene (CCC-NHC) Pincer Complexes with Imidazole- and Triazole-Based Ligands" Organometallics, 2014, 33, 952-958. (doi)
  62. C. B. Duke, R. G. Letterman, J. O. Johnson, J. Barr, S. Hu, C. R. Ross, C. E. Webster, T. J. Burkey. "The Photochemistry of Arene Chromium Tricarbonyl Complexes with Tethered Pyridinyl and Propenyl Groups: Investigations of Chelate Formation, Structure, and Linkage Isomerization" Organometallics, 2014, 33, 485-497. (doi)
  63. M. Vennampalli, G. Liang, C. E. Webster, X. Zhao. "Water Oxidation by Mononuclear Ruthenium Complex with a Pentadentate Isoquinoline-Bipyridyl Ligand" Eur J Inorg Chem, 2014, 715-721. (doi)
  64. K. N. Leigh, C. E. Webster. "Theoretical Studies of Cyclic Adenosine Monophosphate dependent protein kinase: Native Enzyme and Ground-State and Transition-State Analogues" Dalton Trans, 2014, 43, 3039-43, a Hot Article. (doi)
  65. D. Isrow, N. J. DeYonker, A. Koppaka, P. Pellechia, C. E. Webster, B. Captain. "Metal - Ligand Synergistic Effects in the Complex Ni(η2-TEMPO)2. Synthesis, Structures, and Reactivity" Inorg Chem, 2013, 52, 13882-93. (doi)
  66. M. Johnson, J. Thuman, R. G. Letterman, C. J. Stromberg, C. E. Webster, E. J. Heilweil. "Time-Resolved Infrared Studies of a Trimethylphosphine Model Derivative of [FeFe]-Hydrogenase" J Phys Chem B, 2013, 117, 15792-15803. (doi)
  67. N. J. DeYonker, C. E. Webster. "Phosphoryl Transfers of the Phospholipase D Superfamily: A Quantum Mechanical Theoretical Study" J Am Chem Soc, 2013, 135, 13764-13774. (doi)
  68. A. J. Huckaba, B. Cao, T. K. Hollis, H. U. Valle, J. T. Kelly, N. I. Hammer, A. G. Oliver, C. E. Webster. "Platinum CCC-NHC benzimidazolyl pincer complexes: synthesis, characterization, photostability, and theoretical investigation of a blue-green emitter" Dalton Trans, 2013, 42, 8820-8826. (doi)
  69. Feature Article: J. L. Bingaman, C. L. Kohnhorst, G. A. Van Meter, B. A. McElroy, E. A. Rakowski, B. C. Caplins, T. A. Gutowski, C. J. Stromberg, C. E. Webster, E. J. Heilweil. "Time-Resolved Vibrational Spectroscopy of [FeFe]-Hydrogenase Model Compounds" J Phys Chem A, 2012, 116, 7261-7271. (doi)
  70. W. M. Singh, T. Baine, S. Kudo, S. Tian, X. A. N. Ma, H. Zhou, N. J. DeYonker, T. C. Pham, J. C. Bollinger, D. L. Baker, B. Yan, C. E. Webster, X. Zhao. "Electrocatalytic and Photocatalytic Hydrogen Production in Aqueous Solution by a Molecular Cobalt Complex" Angew Chem Int Ed, 2012, 51, 5941-5944. (doi)
  71. J. L. Smeltz, C. E. Webster, E. Ison. "Computational Investigation of the Mechanism for the Activation of CO by Oxorhenium Complexes" Organometallics, 2012, 31, 4055-4062. (doi)
  72. J. L. Griffin, M. W. Bowler, N. J. Baxter, K. N. Leigh, H. R. W. Dannatt, A. M. Hounslow, G. M. Blackburn, C. E. Webster, M. J. Cliff, J. P. Waltho. "Near attack conformers dominate β-phosphoglucomutase complexes where geometry and charge distribution reflect those of substrate" Proc Nat Acad Sci USA, 2012, 109, 6910-6915. (doi)
  73. X. Zhang, A. M. Wright, N. J. DeYonker, T. K. Hollis, N. I. Hammer, C. E. Webster, E. J. Valente. "Synthesis, air stability, photobleaching, and DFT modeling of blue light emitting platinum CCC-N-heterocyclic carbene pincer complexes" Organometallics, 2012, 31, 1664-1672. (doi)
  74. E. J. Heilweil, J. O. Johnson, K. L. Mosley, P. P. Lubet, C. E. Webster, T. J. Burkey. "Engineering Femtosecond Organometallic Chemistry: Photochemistry and Dynamics of Ultrafast Chelation of Cyclopentadienylmanganese Tricarbonyl Derivatives with Pendant Benzenecarbonyl and Pyridinecarbonyl Groups" Organometallics 2011, 30, 5611-5619. (doi)
  75. B. Radaram, J. A. Ivie, W. M. Singh, R. M. Grudzien, J. H. Reibenspies, C. E. Webster, X. Zhao. "Water Oxidation by Mononuclear Ruthenium Complexes with TPA-Based Ligands" Inorg Chem, 2011, 50, 10564-10571. (doi)
  76. S. M. Gittermann, R. G. Letterman, T. Jiao, G.-L. Leu, N. J. DeYonker, C. E. Webster, T. J. Burkey. "Bond Energies, Reaction Volumes, and Kinetics for σ- and π-Complexes of Mo(CO)5L" J Phys Chem A, 2011, 115, 9004-9013. (doi)
  77. B. H. G. Swennenhuis, R. Poland, N. J. DeYonker, C. E. Webster, D. J. Darensbourg, A. A. Bengali. "Ligand Displacement from TpMn(CO)2L Complexes: A Large Rate Enhancement in Comparison to the CpMn(CO)2L Analogues." Organometallics, 2011, 30, 3054-3063. (doi)
  78. K. R. Sawyer, J. F. Cahoon, J. E. Shanoski, E. A. Glascoe, M. F. Kling, J. P. Schlegel, M. C. Zoerb, M. Hapke, J. F. Hartwig, C. E. Webster, C. B. Harris. "Time-resolved IR studies on the mechanism for the functionalization of primary C-H bonds by Photoactivated Cp*W(CO)3(Bpin)." J Am Chem Soc, 2010, 132, 1848-1859. (doi)
  79. Centennial Feature Article: T. T. To, E. J. Heilweil, C. B. Duke, K. R. Ruddick, C. E. Webster, T. J. Burkey. "Development of Ultrafast Photochromic Organometallics and Photoinduced Linkage Isomerization of Arene Chromium Carbonyl Derivatives." J Phys Chem A, 2009, 113, 2666-2676. (doi)
  80. 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. (doi)
  81. 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. (doi)
  82. 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. (doi)
  83. 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. (doi)
  84. 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. (doi)
  85. C. E. Webster. "Computational insights into degenerate ethylene exchange with a Grubbs-type catalyst." J Am Chem Soc, 2007, 129, 7490-7491. (doi)
  86. 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. (doi)
  87. 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.
  88. C. Beddie, C. E. Webster, M. B. Hall. "Urea decomposition facilitated by a urease model complex: a theoretical investigation." Dalton Trans, 2005, 3542-3551. (doi)
  89. 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. (doi)
  90. 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. (doi)
  91. 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 ruthenum carbonyl cluster complexes containing palladium and platinum with the bulky tri-tert-butyl-phosphine ligand." J Am Chem Soc, 2004, 126, 5253-5267. (doi)
  92. 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. (doi)
  93. 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. (doi)
  94. 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. (doi)
  95. 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. (doi)
  96. 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." Angew Chem Int Ed, 2004, 43, 5474-5477. (doi)
  97. 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. (doi)
  98. 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. (doi)
  99. 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. (doi)
  100. 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. (doi)
  101. 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. (doi)
  102. C. E. Webster, M. B. Hall. "De Novo design in organometallic chemistry: stabilizing iridium(V)." Coord Chem Rev, 2003, 238, 315-331. (doi)
  103. 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. (doi)
  104. 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 (doi); erratum: 2002, 336, 168-168. (doi)
  105. 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. (doi)
  106. 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. (doi)
  107. 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. (doi)
  108. 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.
  109. C. R. Bowers, V. Storhaug, C. E. Webster, J. Bharatam, A. Cottone, R. Gianna, K. Betsey (High School student), 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.
  110. 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.
  111. 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.
  112. 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.
  113. 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.
  114. C. E. Webster, R. S. Drago, M. C. Zerner. "Molecular dimensions for adsorptives." J Am Chem Soc, 1998, 120, 5509-5516.
  115. 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.

Patents
T. K. Hollis, C. E. Webster, J. H. Delcamp, U.S. Pat. Appl. Publ. (2019), US 20190016741 A1 20190117. "Symmetrical CCC-NHC pincer metal complexes and symmetrical bimetallic complexes: bio-activity, and applications to organic transformations and energy-related catalytic methods"

T. K. Hollis, C. E. Webster, PCT Int. Appl. (2018), WO 2018175659 A1 20180927. "Unsymmetrical salts, CCC-NHC pincer metal complexes, and methods of making the same"

X. Zhao, C.E. Webster, U.S. Pat. Appl. Publ. (2015), US 20150021197 A1 20150122. "Novel metal complex catalysts and uses thereof including hydrogen production"

X. Zhao, C. E. Webster, U.S. Pat. Appl. Publ. (2013), US 20130277229 A1 20131024. "Novel metal complex catalysts for hydrogen production"