Webster Group - Mississippi State University

Webster
Group

Webster Group
Department of Chemistry
Mississippi State University
Phone: (662) 325-7224
ewebster@chemistry.msstate.edu

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Invited Presentations Contributed presentations Contributed presentations by group members Contributed presentations by collaborators
Highlights of Invited Presentations
Telluride, CO An invited talk at the "Breaking and Making Bonds with Light" workshop at the Telluride Science Research Center, Telluride, CO, July 2-6, 2012. A street view along Colorado Street in Telluride, CO.
Russia An invited talk at Biocatalysis 2007, a boat conference from Moscow to St. Petersburg, Russia, June 17-22, 2007 An aerial view along the Volga River in Russia.
Beijing, China An invited talk at Tsinghua University in Beijing, China, April 24-25, 2007
Chairman Mao and a soldier at the entrance to the Forbidden City. Just behind me is Tiananmen Square.
A picture of me standing in Tiananmen Square. Chairman Mao is in the background.
Zhengzhou, China An invited talk at Zhengzhou University in Zhengzhou, China, April 22-23, 2007 An after dinner snapshot with (L to R) me, Professor Mike Blackburn, Professor Sasha Gabibov, Professor Charlie McKenna, and Professor Wu Yangjie. Dinner was wonderful. The hosts were very gracious. Xiamen, China An invited talk at the 17th International Conference on Phosphorus Chemistry in Xiamen, China held at Xiamen University, April 15-21, 2007 Chicago, IL An invited talk at the 233rd ACS National Meeting, Chicago, IL, March 25-29, 2007 A cold wind brought in a nice afternoon fog over Chicago.
Invited Presentations	back to top
C. E. Webster, N. C. Frey, K. E. Wentz, A. D. Obi, R. J. Gilliard, "Computational forays into the main group renaissance of inorganic chemistry" Abstracts of Papers, ACS Spring Meeting 2023, Indianapolis, IN, United States, March 26-30, 2023 (2023). C. E. Webster "Interpreting Time-Resolved Spectra and Excited State Reactivity with DFT and TD-DFT" Catalysis/Mid-Career Quantum Chemistry Meeting, Texas A&M University, Doha, Qatar, March 10-11, 2019. C. E. Webster "Investigations in Computational Inorganic and Organometallic Photochemistry and Photophysics" Tulane University, New Orleans, LA, February 26, 2018. C. E. Webster, G. Liang, T. R. Helgert, J. A. Denny, G. M. Lang, T. K. Hollis, "Extreme π-loading and imido reactivity in CCC-NHC Ta bis(imido) pincer complexes" Silver Anniversary of N-Heterocyclic Carbenes Symposium, Abstracts, 69th Southeastern Regional Meeting of the American Chemical Society, Charlotte, NC, United States, November 7-11 (2017), SERMACS-600. C. E. Webster, G. Liang, T. R. Helgert, J. A. Denny, G. M. Lang, T. K. Hollis, "Computational study of extreme π-loading and imido reactivity in CCC-NHC Ta bis(imido) pincer" Invited lecture, Computational Chemistry Meeting, Environmental Laboratory, Engineer Research and Development Center, September 12, 2017, Vicksburg, MS. E. V. Dornshuld, C. E. Webster, "Computational Chemistry: A Primer" Invited lecture, Feeding and Powering the World 2017: Building the Knowledge Base, June 19-20, 2017, The University of Mississippi, Oxford, MS. C. E. Webster, G. Liang, R. W. Lamb, K. N. Leigh, R. G. Letterman, N. J. DeYonker, "Theoretical studies of phosphoryl transfer enzymes" Invited lecture, South Eastern Theoretical Chemistry Association (SETCA) 2017, May 19-21, 2017, The University of Mississippi, Oxford, MS. C. E. Webster, "Challenges in Computational Transition Metal Chemistry" Invited lecture, Feeding and Powering the World 2016: Building the Network, July 25-26, 2016, The University of Mississippi, Oxford, MS. C. E. Webster, "Theoretical studies of phosphoryl transfer enzymes" Invited lecture, 8th Mississippi Regional Biophysical Consortium, June 3-4, 2015, The University of Mississippi, Oxford, MS. C. E. Webster, "Forays into Computational Chemistry" Invited lecture, Alumni Summer Symposium, August 7 2014, University of West Florida, Pensacola, FL. C. E. Webster, "Computational design of organometallic photochromic systems" Invited lecture, Breaking and Making Bonds with Light, June 30 - July 4 2014, Telluride Science Research Center, Telluride, CO. K. N. Leigh, W. D. Clark, T. K. Hollis, C. E. Webster, "Mechanistic studies of intramolecular hydroamination of alkylamines by a zirconium(IV) CCC-NHC pincer complex" Abstracts, 69th Southwest Regional Meeting of the American Chemical Society, Waco, TX, United States, November 16-19 (2013), SWRM-567. C. E. Webster, K. N. Leigh, R. G. Letterman, N. J. DeYonker, "Phosphoryl transfer enzymes: theoretical studies of native enzymes and ground-state and transition-state analogues" Abstracts, 69th Southwest Regional Meeting of the American Chemical Society, Waco, TX, United States, November 16-19 (2013), SWRM-543. C. E. Webster, N. J. DeYonker, D. Isrow, A. Koppaka, B. Captain, "Metal - ligand synergistic effects in Ni(η²-TEMPO)₂, structures and reactivity" 89th Annual Florida Annual Meeting and Exposition, FAME 2013, Innisbrook, FL, May 9-11, 2013. C. E. Webster, "Designing and engineering organometallic photochromic systems" Invited lecture, February 8, 2013, seminar presented at University of Central Arkansas, Conway, AR. C. E. Webster, "Designing and engineering organometallic photochromic systems with chelating, bifunctional tethered side-chains" Invited lecture, October 24, 2012, seminar presented at Texas A&M University, College Station, TX. C. E. Webster, "Computational design of organometallic photochromic systems" Invited lecture, Breaking and Making Bonds with Light, July 2-6 2012, Telluride Science Research Center, Telluride, CO. C. E. Webster, "Computational design of organometallic photochromic systems" Invited lecture, February 10, 2012, seminar presented at Mississippi State University, Starkville, MS. C. E. Webster, K. R. Ruddick, K. L. Mosley, J. O. Johnson, P. P. Lubet, E.J. Heilweil, T. J. Burkey "Computational design of organometallic photochromic systems with chelating, bifunctional tethered side-chains." Abstracts of Papers, 240th ACS National Meeting, Boston, MA, United States, August 22-26, 2010, COMP-331. C. E. Webster, "Applications of Density Functional Theory: Research Snapshots of β-phosphoglucomutase and DMSO reductase" Invited lecture, November 21, 2008, seminar presented at the University of Southern Mississippi, Hattiesburg, MS. C. E. Webster, "Forays into Computational Chemistry" Invited lecture, seminar presented at Bartlesville Technology Center, ConocoPhillips Inc., Bartlesville, OK, April 15, 2008. C. E. Webster, "Separating electronic, steric, and packing interactions utilizing Density Functional Theory (or Not!)" Invited lecture, seminar presented at the University of Alabama, Birmingham, Birmingham, AL, February 21, 2008. C. E. Webster, "Continuing the renaissance in inorganic chemistry: Drago's Physical Methods in Inorganic Chemistry" Abstracts of Papers, 233rd ACS National Meeting, Chicago, IL, United States, March 25-29, 2007, HIST-010. C. E. Webster, "Theoretical study of the active site and mechanism of β-phosphoglucomutase" 17th International Conference on Phosphorus Chemistry April 15-21, 2007, Xiamen University, Xiamen, P.R. China. C. E. Webster, "Theoretical study of the active site and mechanism of β-phosphoglucomutase" Invited lecture, April 22-23, 2007, Zhengzhou University, Dept. of Chemistry, Zhengzhou, P.R. China. C. E. Webster, "Theoretical study of the active site and mechanism of β-phosphoglucomutase" Invited lecture April 24-25, 2007, Tsinghua University, Dept. of Chemistry, Beijing, P.R. China. C. E. Webster, "Theoretical study of the active site and mechanism of β-phosphoglucomutase" Invited lecture, June 17-22, 2007, Biocatalysis 2007, Moscow to, St. Petersburg, Russia. C. E. Webster, "Separating electronic, steric, and packing interactions utilizing Density Functional Theory (or Not!)" Invited lecture, September 28, 2006, seminar presented at the University of Mississippi, Oxford, MS. C. E. Webster, "Applications of Density Functional Theory: Research Snapshots" Invited lecture, March 2, 2006, seminar presented at the Middle Tennessee State University, Murfreesboro, TN. C. E. Webster, "Theoretical Investigations into the Active Site Structure and Mechanism of Dimethylsulfoxide Reductase" Recruiting seminar, March 1, 2006, presented at the Middle Tennessee State University, Murfreesboro, TN. C. E. Webster, M. B. Hall, "Theoretical Studies of the Reaction Mechanism of Dimethylsulfoxide Reductase with Inorganic Model Complexes" Invited lecture, September 17, 2003, seminar presented at the Biophysical Night Out, College Station, Texas. C. E. Webster, "Modeling Adsorption: Investigating Adsorbate and Adsorbent Properties" Invited lecture, January 29, 1999, seminar presented at the University of West Florida, Pensacola, FL.
Contributed Presentations	back to top
C. E. Webster, G. Liang, T. R. Helgert, J. A. Denny, G. M. Lang, T. K. Hollis, "Computational study of extreme π-loading and imido reactivity in CCC-NHC Ta bis(imido) pincer complexes" Abstracts of Papers, 253rd ACS National Meeting & Exposition, San Francisco, CA, United States, April 2-6, 2017 (2017), INOR-599. C. E. Webster, K. N. Leigh, R. G. Letterman, N. J. DeYonker, "Phosphoryl transfer enzymes: Theoretical studies of native enzymes and ground-state and transition-state analogs" Abstracts of Papers, 247th ACS National Meeting & Exposition, Dallas, TX, United States, March 16-20, 2014 (2014), INOR-41. C. E. Webster, N. J. DeYonker, "The many phosphoryl transfers of Phospholipase D superfamily: A quantum mechanical theoretical study" 89th Annual Florida Annual Meeting and Exposition, FAME 2013, Innisbrook, FL, May 9-11, 2013. C. E. Webster, R. G. Letterman, J. W. Barr, J. O. Johnson, T. M. McFadden, C. B. Duke, T. To, T. J. Burkey, "Designing and engineering organometallic photochromic systems with chelating, bifunctional tethered side-chains" Abstracts of Papers, 245th ACS National Meeting & Exposition, New Orleans, LA, United States, April 7-11, 2013 (2013), INOR-1086. C. E. Webster, "The many phosphoryl transfers of Phospholipase D superfamily: A quantum mechanical theoretical study" SouthWest Theoretical Chemistry Conference, College Station, TX, October 27-28, 2012. C. E. Webster, N. J. DeYonker, "The many phosphoryl transfers of Phospholipase D: A quantum mechanical theoretical study" Abstracts of Papers, 244th ACS National Meeting & Exposition, Philadelphia, PA, United States, August 19-23, 2012 (2012), INOR-54. C. E. Webster, "Computational insights into degenerate ethylene exchange with a Grubbs type catalyst" Midsouth Inorganic Chemists Association held at Harding University, Searcy, AR, October 13, 2007. C. E. Webster, "Computational insights into degenerate ethylene exchange with a Grubbs type catalyst" Abstracts of Papers, 234th ACS National Meeting, Boston, MA, United States, August 19-23, 2007, INOR-018. C. E. Webster, "Theoretical study of the active site and mechanism of β-phosphoglucomutase" Abstracts of Papers, 233rd ACS National Meeting, Chicago, IL, United States, March 25-29, 2007, INOR-223. 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." Abstracts, 60th Southwest Regional Meeting of the American Chemical Society, Fort Worth, TX, United States, September 29-October 4, 2004, SEPT04-110. M. B. Hall, C. E. Webster, "Separating Electronic, Steric, and Packing Interactions in Crystallographic Structures by Density Functional Theory." Abstracts, 60th Southwest Regional Meeting of the American Chemical Society, Fort Worth, TX, United States, September 29-October 4, 2004, SEPT04-088. C. E. Webster, M. B. Hall, "Theoretical Studies of the Molybdenum Oxotransferase Enzymes" Poster presented at Molybdenum & Tungsten Enzymes, Gordon Research Conference, Kimball Union Academy, Meriden, New Hampshire June 29-July 4, 2003. C. E. Webster, M. B. Hall, "Factors affecting the structure of substituted tris(pyrazolyl)borato rhodium dicarbonyl complexes." Abstracts of Papers, 223rd ACS National Meeting, Orlando, FL, United States, April 7-11, 2002, INOR-293, 223, A50. C. E. Webster, M. B. Hall, "Carbon-hydrogen and carbon-carbon bond activation of cyclopropane by a cationic iridium(III) complex, a theoretical study." Abstracts of Papers, 223rd ACS National Meeting, Orlando, FL, United States, April 7-11, 2002, INOR-357, 223, A60. C. E. Webster, M. B. Hall, "Theoretical transition state structure of a model complex bears a striking resemblance to the active site structure of DMSO reductase." Abstracts of Papers, 223rd ACS National Meeting, Orlando, FL, United States, April 7-11, 2002, INOR-404, 223, A67. C. E. Webster, M. B. Hall, "Elongated Dihydrogen? ReH₇(P(p-tol)₃)₂ Revisited" Seminar presented at the Computational Chemistry Users Meeting, Environmental Molecular Sciences Laboratory at the Pacific Northwest National Laboratory, Richland, Washington, June 18-19, 2001. C. E. Webster, M. B. Hall, "A theoretical study of carbon-hydrogen and carbon-carbon bond activation of cyclopropane by a cationic iridium(III) complex" Poster presented at the 17th Southwest Theoretical Chemistry Conference (17th SWTCC), College Station, TX, November 2-4, 2000. C. E. Webster, M. B. Hall, "Computational Studies of Tris(pyrazolyl)borate Complexes of Iridium" Poster presented at the Contemporary Inorganic Chemistry-II (CIC-II), College Station, TX, March 12-15, 2000. C. E. Webster, M. B. Hall, "Theoretical study of the reaction mechanism of dimethylsulfoxide reductase, a molybdenum-containing oxotransferase enzyme." Abstracts of Papers, 220th ACS National Meeting, Washington, DC, United States, August 20-24, 2000, INOR-416, 220, U515. C. E. Webster, R. S. Drago, M. C. Zerner, "The Multiple Equilibrium Analysis Description of Adsorption on HZSM-5" Seminar presented at the Florida American Chemical Society Meeting and Exposition (FAME 99), Orlando, FL, May 8-9, 1999. C. E. Webster, J. P. Osegovic, C. R. Bowers, "Deuteron Quadrupole Spin Echo NMR of d₅-Pyridine Chemisorbed on Zeolites" Poster presented at the 40th Experimental Nuclear Magnetic Resonance Conference (ENC), Orlando, FL, February 28-March 5, 1999. C. E. Webster, R. S. Drago, M. C. Zerner, "A Method for Determining the Effective Catalytic Pore Size of HZSM-5" Poster presented at the Florida American Chemical Society Meeting and Exposition (FAME 98), Orlando, FL, May 8-9, 1998. C. E. Webster, R. S. Drago, M. C. Zerner, "Modeling Adsorption: A Method for Characterizing the Effective Catalytic Pore Size of HZSM-5" Poster presented at the Florida Catalysis Conference; Palm Coast, FL, April 27, 1998.
Contributed Presentations by Group Members	back to top
N. Le, C. L. Hetti Handi, N. Udayanga, X. Cui, C. E. Webster, "How to conceptualize enantiomeric selectivity in C-H bond functionalization catalyzed by half-sandwich Ruthenium complexes" Abstracts, Southwest Regional Meeting of the American Chemical Society, Baton Rouge, LA, United States, November 6-9 (2022), SWRM-518. K. M. Chamberlain, G. Munoz, S. Athukorale, C. U. Pittman, C. E. Webster, and D. W. Smith. "Synthesis and Computational Study of Semi-fluorinated Polyaryl Ethers via Friedel-Crafts Polymerization of Aromatic Hexafluoropropanol Derivatives" Abstracts, Southeastern Regional Meeting of the American Chemical Society, SERMACS 2021, Birmingham, AL, United States, November 10-13 (2021), SERMACS-1014. N. Le, C. L. Hetti Handi, N. Udayanga, X. Cui, and C. E. Webster. "Mechanistic Study of Enantiomer Selectivity C-H bond Functionalization catalyzed by Ruthenium complexes" Abstracts, Southeastern Regional Meeting of the American Chemical Society, SERMACS 2021, Birmingham, AL, United States, November 10-13 (2021), SERMACS-214. N. Le, N. Chuang, C. Oliver, A. Samoshin, K. B. Morris, S. Hyland, H. Guan, T. B. Clark, and C. E. Webster. "Mechanistic Investigations into Benzylic Amine-Directed C-H Borylation with Iridium" Abstracts, Southeastern Regional Meeting of the American Chemical Society, SERMACS 2021, Birmingham, AL, United States, November 10-13 (2021), SERMACS-124. N. C. Frey, R. W. Lamb, E. Van Dornshuld, K. E. Krantz, S. L. Weisflog, W. Yang, P. Miller, D. A. Dickie, R. J. Gilliard, and C. E. Webster. "Computational studies of extremely twisted pyrene-fused N-heterocyclic germylenes and diazaborolidines" Abstracts of Papers, 259th ACS National Meeting & Exposition, Philadelphia, PA, United States, March 22-26, 2020 (2020), INOR-0171. L. Olive, E. Van Dornshuld, and C. E. Webster. "Curious case of DMSO: A computational study" Abstracts of Papers, 258th ACS National Meeting & Exposition, San Diego, CA, United States, August 25-29, 2019 (2019), COMP-0281. R. W. Lamb, D. B. Burks, S. Das, R. R. Rodrigues, F. Qu, C. M. Boudreaux, J. H. Delcamp, E. T. Papish, C. E. Webster, "Building Better Catalysts from Systematic Experimental and Computational Studies" Feeding and Powering the World 2019: The Next Generation, July 15-16, 2019, The University of Mississippi, Oxford, MS. N. C. Frey, E. V. Dornshuld, F. Aghabozorgi, C. E. Webster, "Characterizing the Fluxional Behavior in (TMCOT)M(CO)₃ and (COT)Cr(CO)₃ Complexes with Computational Approaches" Feeding and Powering the World 2019: The Next Generation, July 15-16, 2019, The University of Mississippi, Oxford, MS. N. C. Frey, R. W. Lamb, E. V. Dornshuld, K. E. Krantz, W. Yang, P. Miller, D. A. Dickie, R. J. Gilliard, Jr., C. E. Webster, "Examining the Electronic Properties of Twisted Pyrene Compounds" Feeding and Powering the World 2019: The Next Generation, July 15-16, 2019, The University of Mississippi, Oxford, MS. L. Olive, E V. Dornshuld, C. E. Webster, "Assessing the performance of DFT energetics on small oxygen/sulfur containing compounds" Feeding and Powering the World 2019: The Next Generation, July 15-16, 2019, The University of Mississippi, Oxford, MS. G. Liang, P. Wang, X. Zhao, C. E. Webster, "Theoretical Investigation on the Electronic and Steric Tuning of Catalytic H₂ Evolution by Cobalt Complexes" Feeding and Powering the World 2018: Planning for the Future, July 16-17, 2018, The University of Mississippi, Oxford, MS. M. Zhang, E. V. Dornshuld, J. C. Bunquin, M. Delferro, T. K. Hollis, C. E. Webster, "The Platinum Electronic Parameter (PtEP): A Compliment to TEP" Feeding and Powering the World 2018: Planning for the Future, July 16-17, 2018, The University of Mississippi, Oxford, MS. R. W. Lamb, C. E. Webster, "Update from the Webster Group" Feeding and Powering the World 2018: Planning for the Future, July 16-17, 2018, The University of Mississippi, Oxford, MS. V. A. K. Adiraju, B. Donnadieu, C. E. Webster, T. K. Hollis, "Early Transition Metal CCC-NHC Pincer Complexes" Feeding and Powering the World 2018: Planning for the Future, July 16-17, 2018, The University of Mississippi, Oxford, MS. K. Adiraju, M. Zhang, E. Dornshuld, R. W. Lamb, G. Liang, C. E. Webster, T. K. Hollis, "State-of-the-Art Nitrogen Reduction: Haber-Bosch to Homogeneous back to Heterogeneous" Feeding and Powering the World 2018: Planning for the Future, July 16-17, 2018, The University of Mississippi, Oxford, MS. R. W. Lamb, J. Cope, N. Liyanage, P. J. Kelly, J. Denny, J. H. Delcamp, T. K. Hollis, C. E. Webster, "Preferential electrochemical reduction of CO2 to formate by a CCC-NHC-Ni complex: A computational/mechanistic study" Abstracts of Papers, 255th ACS National Meeting & Exposition, New Orleans, LA, United States, March 18-22, 2018 (2018), INOR-690. G. M. Lang, J. Denny, S. Autry, V. Dixit, N. Hammer, C. E. Webster, T. K. Hollis, "Palladium N-heterocyclic carbene based CCC-NHC pincer complexes: Air and water stable organometallic emitters" Abstracts of Papers, 255th ACS National Meeting & Exposition, New Orleans, LA, United States, March 18-22, 2018 (2018), INOR-1276. G. M. Lang, J. Denny, V. Dixit, C. E. Webster, T. K. Hollis, "Accessing reactive oxo intermediates: Oxidation of a CCC-NHC-Pt complex" Abstracts of Papers, 255th ACS National Meeting & Exposition, New Orleans, LA, United States, March 18-22, 2018 (2018), INOR-1200. M. Zhang, S. Autry, V. Dixit, E. V. Dornshuld, J. Denny,N. Hammer, C. E. Webster, T. K. Hollis, "Synthesis, characterization, and photophysics of CCC-NHC pincer Platinum complexes" Abstracts of Papers, 255th ACS National Meeting & Exposition, New Orleans, LA, United States, March 18-22, 2018 (2018), INOR-1199. J. Cope, R. W. Lamb, J. Denny,C. E. Webster, T. K. Hollis, B. Donnadieu, "CCC-NHC pincer iron complexes: Synthesis of bis CCC-NHC complexes and ligand functionalization after complexation" Abstracts of Papers, 255th ACS National Meeting & Exposition, New Orleans, LA, United States, March 18-22, 2018 (2018), INOR-1198. J. Denny, R. W. Lamb, C. E. Webster, T. K. Hollis, "Synthesis and reactivity of reduced CCC-NHC rhodium pincer complexes" Abstracts of Papers, 255th ACS National Meeting & Exposition, New Orleans, LA, United States, March 18-22, 2018 (2018), INOR-1197. J. H. Delcamp, A. Huckaba, H. Shirley, H. Cheema, N. Liyanage, C. Carpenter, R. H. Schmehl, J. W. Jurss, C. E. Webster, N. Hammer, "Pyridyl-NHC ligated Re and W complexes for the photocatalytic reduction of CO2 to CO and H+ to H2 without photosensitizers" Abstracts of Papers, 255th ACS National Meeting & Exposition, New Orleans, LA, United States, March 18-22, 2018 (2018), INOR-1070. V. Dixit,E. V. Dornshuld, C. E. Webster, T. K. Hollis, "Theoretical study of substituted CCC-NHC palladium and platinum complexes for OLED applications" Abstracts of Papers, 255th ACS National Meeting & Exposition, New Orleans, LA, United States, March 18-22, 2018 (2018), INOR-707. T. K. Hollis, C. E. Webster, M. Zhang, E. V. Dornshuld, V. Dixet, J. Camacho-Bunquin, M. Delferro. NHC pincer complex donor ability-PtEP (Platinum (Pt) electronic parameter): A donicity scale incorporating strictly meridional, tridentate ligands" Abstracts of Papers, 255th ACS National Meeting & Exposition, New Orleans, LA, United States, March 18-22, 2018 (2018), INOR-496. T. R. Helgert, T. K. Hollis, C. E. Webster, J. Denny, G. Liang, B. Donnadieu, "Exploring Shrock cycle intermediates: Synthesis of CCC-NHC Ta bis imido complexes and their reactivity with hydrazine derivatives" Abstracts of Papers, 255th ACS National Meeting & Exposition, New Orleans, LA, United States, March 18-22, 2018 (2018), INOR-159. H. Hessler, G. M. Lang, C. E. Webster, T. K. Hollis "Synthesis of next-generation CCC-NHC pincer backbones" Abstracts, 69th Southeastern Regional Meeting of the American Chemical Society, Charlotte, NC, United States, November 7-11 (2017), SERMACS-1406. R. W. Lamb, A. Huckaba, H. Shirley, S. L. Guertin, S. Autry, H. Cheema, K. Talukdar, Jones, Tanya C.; J. W. Jurss, A. Antonysamy, N. Hammer, R. H. Schmehl, J. H. Delcamp, C. E. Webster "Photocatalyzed HER: A computational investigation on the mechanism of a novel, record-setting catalyst, (pyNHC-p-CF₃Ph)W(CO)₄" Abstracts, 69th Southeastern Regional Meeting of the American Chemical Society, Charlotte, NC, United States, November 7-11 (2017), SERMACS-1305. T. K. Hollis, C. E. Webster, M. Zhang, E. V. Dornshuld, J. C. Bunquin, M. Delferro, "NHC pincer complex donor ability? PtEP (platinum (Pt) electronic parameter): A donicity scale incorporating strictly meridional, tridentate ligands" Abstracts, 69th Southeastern Regional Meeting of the American Chemical Society, Charlotte, NC, United States, November 7-11 (2017), SERMACS-595. G. Liang, C. E. Webster "Missing agostomer in the fluxionality of cyclohexenylmanganese tricarbonyl [(C₆H₉)Mn(CO)₃]" Abstracts, 69th Southeastern Regional Meeting of the American Chemical Society, Charlotte, NC, United States, November 7-11 (2017), SERMACS-199. E. V. Dornshuld, M. Zhang, T. K. Hollis, C. E. Webster "Characterizing ¹⁹⁵Pt NMR chemical shifts with computationally tractable non-relativistic density functional approaches" Abstracts, 69th Southeastern Regional Meeting of the American Chemical Society, Charlotte, NC, United States, November 7-11 (2017), SERMACS-198. V. Dixit, M. Zhang, E. V. Dornshuld, T. K. Hollis, C. E. Webster "Theoretical study of the effect of substituents on the optical spectra and ¹⁹⁵Pt NMR shift of CCC-NHC Pt(II) complexes" Abstracts, 69th Southeastern Regional Meeting of the American Chemical Society, Charlotte, NC, United States, November 7-11 (2017), SERMACS-197. G. M. Lang, J. Denny, V. Dixit, C. E. Webster, T. K. Hollis "Quest to break the oxo-wall: Oxidation of a CCC-NHC-Pt complex" Abstracts, 69th Southeastern Regional Meeting of the American Chemical Society, Charlotte, NC, United States, November 7-11 (2017), SERMACS-58. J. Denny, R. W. Lamb, C. E. Webster, T. K. Hollis "The synthesis, characterization, and applications of CCC-NHC pincer complexes of rhodium" Abstracts, 69th Southeastern Regional Meeting of the American Chemical Society, Charlotte, NC, United States, November 7-11 (2017), SERMACS-57. J. D. Cope, J. A. Denny, R. W. Lamb, C. E. Webster, T. K. Hollis, "CCC-NHC pincer iron complexes: Synthesis, characterization, and electrochemistry" Abstracts, 69th Southeastern Regional Meeting of the American Chemical Society, Charlotte, NC, United States, November 7-11 (2017), SERMACS-56. M. Zhang, S. Autry, V. Dixit, J. A. Denny, N. Hammer, C. E. Webster, Hollis, T. Keith "Synthesis, characterization, and photophysics of CCC-NHC pincer platinum complexes" Abstracts, 69th Southeastern Regional Meeting of the American Chemical Society, Charlotte, NC, United States, November 7-11 (2017), SERMACS-55. J. A. Denny, R. W. Lamb, C. E. Webster, T. K. Hollis, "Synthesis and Characterization of Rhodium CCC-NHC Pincer Complexes" Feeding and Powering the World 2017: Building the Knowledge Base, June 19-20, 2017, The University of Mississippi, Oxford, MS. R. W. Lamb, A. J. Huckaba, H. Shirley, S. Guertin, S. Autry, H. Cheema, K. Talukdar, T. Jones, J. W. Jurss, A. Dass, N. I. Hammer, R. H. Schmehl, J. H. Delcamp, C. E. Webster, "New Insights into the Mechanism of the HER Catalyzed by (py-NHC-p-CF₃Ph)W(CO)₄" Feeding and Powering the World 2017: Building the Knowledge Base, June 19-20, 2017, The University of Mississippi, Oxford, MS. G. M. Lang, J. A. Denny, V. Dixit, C. E. Webster, T. K, Hollis, "Oxidation of a CCC-NHC Pt(II) Complex via O-atom Transfer Reactions" Feeding and Powering the World 2017: Building the Knowledge Base, June 19-20, 2017, The University of Mississippi, Oxford, MS. J. D. Cope, J. A. Denny, R. W. Lamb, L. E. McNamara, N. I. Hammer, C. E. Webster, T. K. Hollis, "Synthesis, Characterization, Photophysics, Ligand Rearrangement of CCC-NHC Pincer Nickel Complexes used for Electrocatalytic Reduction of CO₂" Feeding and Powering the World 2017: Building the Knowledge Base, June 19-20, 2017, The University of Mississippi, Oxford, MS. T. R. Helgert, J. A. Denny, T. K. Hollis, and C. E. Webster, "CCC-NHC Pincer Ta Complexes: Synthesis ad Reactivity" Feeding and Powering the World 2017: Building the Knowledge Base, June 19-20, 2017, The University of Mississippi, Oxford, MS. M. Zhang, E. V. Dornshuld, V. Dixit, J. A. Denny, C. E. Webster, T. K. Hollis, "Synthesis and Characterization of CCC-NHC Pincer Platinum Complexes" Feeding and Powering the World 2017: Building the Knowledge Base, June 19-20, 2017, The University of Mississippi, Oxford, MS. T. R. Helgert, J. A. Denny, G. M. Lang, G. Liang, C. E. Webster, T. K. Hollis, "Extreme π-loading as a design element for accessing imido reactivity: CCC-NHC Ta bis(imido) pincer complex synthesis and reactivity in oxidative amination" Abstracts of Papers, 253rd ACS National Meeting & Exposition, San Francisco, CA, United States, April 2-6, 2017 (2017), INOR-591. J. Cope, M. Zhang, T. K. Hollis, and C. E. Webster, "Synthesis and characterisation of CCC-NHC supported complexes containing group 10 metals" Feeding and Powering the World 2016: Building the Network, The University of Mississippi, Oxford, MS, July 25-26, 2016. V. Dixit, E. V. Dornshuld, and C. E. Webster, "Substitution effects on the emission spectra of Platinum CCC-NHC Pincer Complexes" Feeding and Powering the World 2016: Building the Network, The University of Mississippi, Oxford, MS, July 25-26, 2016. E. V. Dornshuld, M. Zhang, X. Zhang, T. K. Hollis, and C. E. Webster, "Utilizing computational ¹⁹⁵Pt NMR chemical shifts for the prediction of meridional ligand donor ability in square planar complexes" Feeding and Powering the World 2016: Building the Network, The University of Mississippi, Oxford, MS, July 25-26, 2016. R. W. Lamb, C. E. Webster, J. H. Delcamp, "Mechanistic Study of HER Catalyzed by a Novel W-NHC Complex" Feeding and Powering the World 2016: Building the Network, The University of Mississippi, Oxford, MS, July 25-26, 2016. M. Zhang, E. V. Dornshuld, X. Zhang, T. K. Hollis, C. E. Webster, "Predicting Metal Complex Reactivity for Energy Applications: Donicity of Meridional Tridentate Ligands: ¹⁹⁵Pt NMR of CCC-NHC Pt Pincer Square Planar Complexes" Feeding and Powering the World 2016: Building the Network, The University of Mississippi, Oxford, MS, July 25-26, 2016. T. Harrison, T. K. Hollis, C. E. Webster, "The general method of synthesizing 1,3-[3'-(trimethylsilylmethyl)-benzimidazole]benzene preligand pincer: Metalation and trans metalation of the three activated C-H bonds" Feeding and Powering the World 2016: Building the Network, The University of Mississippi, Oxford, MS, July 25-26, 2016. I. McCraw, T. K. Hollis, C. E. Webster, "Synthesis and Characterization of 1,3-bis(3'-(neohexyl)-imidazolyl)benzene Pincer Ligand with Subsequent Metalation and Platinum Transmetalation of Three Activated C-H Bonds" Feeding and Powering the World 2016: Building the Network, The University of Mississippi, Oxford, MS, July 25-26, 2016. R. Pearlman, J. Cope, T. K. Hollis, C. E. Webster, "The synthesis of light-emitting pincer CCC-bis(NHC) complexes" Feeding and Powering the World 2016: Building the Network, The University of Mississippi, Oxford, MS, July 25-26, 2016. T. Woodby, T. K. Hollis, C. E. Webster, "Synthesis, alkylation and metalation of bis CCC-NHC proligands" Feeding and Powering the World 2016: Building the Network, The University of Mississippi, Oxford, MS, July 25-26, 2016. E. V. Dornshuld, M. Zhang, X. Zhang, T. K. Hollis, C. E. Webster, "Predicting ¹⁹⁵Pt NMR chemical shifts in small Pt(II) and Pt(IV) organometallic compounds with density functional approaches" Abstracts, 67th Southeast/71st Southwest Joint Regional Meeting of the American Chemical Society, Memphis, TN, United States, November 4-7 (2015), SERMACS-SWRM-360. R. W. Lamb, E. V. Dornshuld, C. E. Webster, "Computational investigation of linkage isomerization in sulfoxide-containing ruthenium complexes" Abstracts, 67th Southeast/71st Southwest Joint Regional Meeting of the American Chemical Society, Memphis, TN, United States, November 4-7 (2015), SERMACS-SWRM-220. M. Zhang, X. Zhang, L. McNamara, N. Hammer, N. Kaneza, S. Pan, C. E. Webster, T. K. Hollis, "Synthesis, characterization, and luminescence of CCC-NHC pincer platinum complexes" Abstracts, 67th Southeast/71st Southwest Joint Regional Meeting of the American Chemical Society, Memphis, TN, United States, November 4-7 (2015), SERMACS-SWRM-180. G. Liang, C. E. Webster, "Phosphoramidate hydrolysis catalyzed by hHINT1: A cluster-model DFT computational study" Abstracts, 67th Southeast/71st Southwest Joint Regional Meeting of the American Chemical Society, Memphis, TN, United States, November 4-7 (2015), SERMACS-SWRM-19. G. Liang, C. E. Webster, "Phosphoramidate Hydrolysis Catalyzed by hHINT1: A Cluster-Model DFT Computational Study" Poster, 8th Mississippi Regional Biophysical Consortium, June 3-4, 2015, The University of Mississippi, Oxford, MS. K. N. Leigh, W. D. Clark, T. K. Hollis, C. E. Webster, "Mechanistic studies of intramolecular hydroamination of alkylamines by a zirconium(IV) CCC-NHC pincer complex" Abstracts of Papers, 247th ACS National Meeting & Exposition, Dallas, TX, United States, March 16-20, 2014 (2014), INOR-931. R. G. Letterman, J. O. Johnson, T. J. Burkey, C. E. Webster, "Organometallic complexes with tethered hydrazone and pyridyl ligands as model photochromic complexes: A density functional theory study" Abstracts of Papers, 247th ACS National Meeting & Exposition, Dallas, TX, United States, March 16-20, 2014 (2014), INOR-709. T. R. Rogers, R. M. Tarkka, P. J. Desrochers, C. E. Webster, "Computational investigation of the polymerization of phenylacetylene by rhodium scorpionates" Abstracts of Papers, 247th ACS National Meeting & Exposition, Dallas, TX, United States, March 16-20, 2014 (2014), INOR-683. K. N. Leigh, C. E. Webster, "Computational studies of adenosine monophosphate dependent protein kinase: Phosphoryl transfer and ground- and transition-state analogs" Abstracts of Papers, 247th ACS National Meeting & Exposition, Dallas, TX, United States, March 16-20, 2014 (2014), INOR-228. N. J. DeYonker, C. E. Webster, "Phosphoryl transfers of tyrosyl DNA-phosphodiesterase I: A quantum mechanical "cluster model" study" Abstracts of Papers, 247th ACS National Meeting & Exposition, Dallas, TX, United States, March 16-20, 2014 (2014), COMP-50. A. C. Bernal, N. J. DeYonker, D. Rabinovich, C. E. Webster, "Using Electronic Structure Methods To Quantify Metal-Arene Bonding In Novel Pb-Centered Complexes" 89th Annual Florida Annual Meeting and Exposition, FAME 2013, Innisbrook, FL, May 9-11, 2013. K. N. Leigh, T. K. Hollis, C. E. Webster, "Catalytic intramolecular hydroamination by titanium(IV) and rhodium(III) CCC-NHC pincer complexes" Abstracts of Papers, 245th ACS National Meeting & Exposition, New Orleans, LA, United States, April 7-11, 2013 (2013), INOR-1199. K. N. Leigh, J. P. Waltho, G.M. Blackburn, M. W. Bowler, C. E. Webster, "Computational studies of intermediate- and transition-state analogs in β-PGM" Abstracts of Papers, 245th ACS National Meeting & Exposition, New Orleans, LA, United States, April 7-11, 2013 (2013), INOR-282. N. J. DeYonker, D. Isrow, A. Koppaka, B. Captain, C. E. Webster, "Metal - ligand synergistic effects in Ni(η²-TEMPO)₂, structures and reactivity" Abstracts of Papers, 245th ACS National Meeting & Exposition, New Orleans, LA, United States, April 7-11, 2013 (2013), INOR-86. R. G. Letterman, C. B. Duke, T. T. To, T. J. Burkey, C. E. Webster, "How do inequivalent atoms in an organometallic complex become equivalent on the NMR timescale?" Abstracts of Papers, 244th ACS National Meeting & Exposition, Philadelphia, PA, United States, August 19-23, 2012 (2012), INOR-354. K. N. Leigh, T. K. Hollis, C. E. Webster, "Computational study of catalytic intramolecular hydroamination by a CCC-NHC Rh pincer complex" Abstracts of Papers, 244th ACS National Meeting & Exposition, Philadelphia, PA, United States, August 19-23, 2012 (2012), INOR-232. R. G. Letterman, N. J. DeYonker, T. J. Burkey, C. E. Webster, "Should density functional theory be used to guide the design of chromium-containing photochromic materials?" Abstracts of Papers, 244th ACS National Meeting & Exposition, Philadelphia, PA, United States, August 19-23, 2012 (2012), INOR-224. K. N. Leigh, J. P. Waltho, G. M. Blackburn, M. W. Bowler, C. E. Webster, "Utilization of computed ¹⁹F NMR to identify active site intermediate and transition-state analogs in β-PGM" Abstracts of Papers, 244th ACS National Meeting & Exposition, Philadelphia, PA, United States, August 19-23, 2012 (2012), INOR-55. K. N. Leigh, C. E. Webster, "Computational study of catalytic intramolecular hydroamination by a CCC-NHC Rh pincer complex" SETCA 2012, May 17-19, 2012, Athens, GA. R. G. Letterman, N. J. DeYonker, T. J. Burkey, C. E. Webster, "Should density functional theory be used to guide the design of chromium-containing photochromic materials?" SETCA 2012, May 17-19, 2012, Athens, GA. M. Yang, N. J. DeYonker, X. Zhao, C. E. Webster, "Computational Reduction Potentials of Ferrocene and Cobaltocene Derivatives" SETCA 2012, May 17-19, 2012, Athens, GA. N. J. DeYonker, "The Many Phosphoryl Transfers of Phospholipase D" Invited lecture, March 01, 2012, seminar presented at the University of Mississippi, Oxford, MS. J. A. Ivie, N. J. DeYonker, D. J. Darensbourg, C. E. Webster, "Theoretical Studies on the Mechanism of Copolymerization of Oxetane and Carbon Dioxide via (Salen)Chromium Catalysts" Abstracts, 63rd Southeast Regional Meeting of the American Chemical Society, Richmond, VA, United States, October 26-29 (2011), SERM-603. J. A. Ivie, D. J. Darensbourg, C. E. Webster, "Theoretical studies on the mechanism of copolymerization of oxetane and carbon dioxide via (salen)chromium catalysts" Abstracts of Papers, 241st ACS National Meeting, Anaheim, CA, United States, March 27-31, 2011, INOR-520. K. R. Ruddick, K. L. Mosley, J. O. Johnson, T. J. Burkey, C. E. Webster, "Computational design of organometallic photochromic systems of the type CpMn(CO)₂L and ArylCr(CO)₂L where L is a chelating, bifunctional tethered side-chain" Abstracts of Papers, 239th ACS National Meeting, San Francisco, CA, United States, March 21-25, 2010, INOR-834. K. Leigh, C. E. Webster, "Theoretical study of the active site and mechanism of β-phosphoglucomutase and phosphoserine phosphatase" Abstracts of Papers, 239th ACS National Meeting, San Francisco, CA, United States, March 21-25, 2010, INOR-37. J. A. Ivie, K. R. Ruddick, R. M. Grudzien, X. Zhao, C. E. Webster, "Computational approach to the design of ruthenium water oxidation catalysts" Abstracts of Papers, 239th ACS National Meeting, San Francisco, CA, United States, March 21-25, 2010, INOR-240. A. F. Greene, D. K. Breland, S. Kumar, T. Fujiwara, C. E. Webster, "Study on the thermodynamics behind the binding behavior of spiro form spirooxazine dimers" Abstracts of Papers, 239th ACS National Meeting, San Francisco, CA, United States, March 21-25, 2010, INOR-227. D. K. Breland, S. Kumar, T. Fujiwara, C. E. Webster, "Ring Opening and Isomerization Mechanisms in Spiropyran and Spirooxazine Dimers" Abstracts, 61st Southeast Regional Meeting of the American Chemical Society, San Juan, Puerto Rico, October 21-24, 2009, SRM-594. D. K. Breland, D. L. Baker, A. Parrill, C. E. Webster, "The Phosphoryl Transfer Mechanism in Xac Nucleotide Pyrophosphatase/Phosphodiesterase: A Computational Study" Abstracts, 61st Southeast Regional Meeting of the American Chemical Society, San Juan, Puerto Rico, October 21-24, 2009, SRM-449. K. Ruddick, K. L. Mosley, T. J. Burkey, C. E. Webster, "Computational Design of Organometallic Photochromic Systems" Abstracts, 38th Great Lakes Regional Meeting of the American Chemical Society, Chicago, IL, United States, May 13-16, 2009, GLRM-229. K. Ruddick, K. L. Mosley, T. J. Burkey, C. E. Webster, "Computational and Experimental Studies of Organometallic Photochromic Systems: Isomerization Mechanisms for Bifunctional Side-chain Complexes" Abstracts of Papers, 237th ACS National Meeting, Salt Lake City, UT, United States, March 22-26, 2009, INOR-670. D. K. Breland, D. L. Baker, A. L. Parrill, C. E. Webster, "Computational Model Reveals Intermediate in Catalytic Mechanism of Xac Nucleotide Pyrophosphatase/Phosphodiesterase" Abstracts, 60th Southeast Regional Meeting of the American Chemical Society, Nashville, TN, United States, November 12-15, 2008, SERM-137. C. D. Enekwa, C. E. Webster, "Computational study of catalysis of the 3-Aza-Cope rearrangement in a Ga₄L₆^12- supramolecular host" Abstracts, 62nd Southwest Regional Meeting of the American Chemical Society, Houston, TX, United States, October 19-22, 2006, SRM-419. J. M. Seat, C. E. Webster, "A Computational Investigation of the Mechanism of Ribosylhomocysteinase" 29th Annual Area Collegiate Chemistry Meeting, Martin, TN, April 29, 2006.
Contributed Presentations by Collaborators	back to top
E. Caldona, H. Brown, M. Zhang, G. Liang, T. K. Hollis, C. E. Webster, D. Smith, D. Wipf, "Fluorinated polymeric materials and azole-based aromatic compounds for corrosion protection applications "Abstracts of Papers, ACS Spring Meeting 2023, Indianapolis, IN, United States, March 26-30, 2023 (2023). E. Fosu, T. Nghia, T. Abdulraheem, B. Donnadieu, A. L. Patrick, C. E. Webster, K. Hollis, "Platinum (II) Dinitrogen Adduct: Synthesis and Characterization of Bis-abnormal imidazolium CCC-NHC Pt Complex, [(^BuC^aiC^aiC^Bu)Pt+N₂]⁺" Abstracts, Southwest Regional Meeting of the American Chemical Society, Baton Rouge, LA, United States, November 6-9 (2022), SWRM-410. D. D. McCool, P. Wang, B. Donnadieu, C. E. Webster, X. Zhao, "Hydrogen evolution reaction enhancements via cobalt complexation with a softer polypyridyl ligand in neutral water" Abstracts of Papers, ACS Fall 2022, Chicago, IL, United States (2022). W. Yao, C. M. Boudreaux, D. Nugegoda, N. Le, N. C. Frey, Q. Y. 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" Abstracts of Papers, ACS Fall 2022, Chicago, IL, United States (2022). A. D. Obi, D. A. Dickie, L. A. Freeman, J. E. Walley, N. C. Frey, H. Machost, C. E. Webster, R. J. Gilliard, Jr., "Carbenes and carbones as mediators for the cationization of magnesium and bismuth complexes" Abstracts of Papers, ACS Spring 2022, San Diego, CA, United States (2022). I. Cheng, P. Wang, T. N. Le, J. D. McCool, N. Amer, J. Hardin, D. P. O'Malley, B. Donnadieu, C. E. Webster, X. Zhao, "H₂ production by molecular cobalt complexes with pentadentate ligand scaffolds: A photocatalytic and electrocatalytic study" Abstracts of Papers, ACS Spring 2022, San Diego, CA, United States (2022). D. Nugegoda, S. Das, F. Qu, C. M. Boudreaux, P. Burrow, M. T. Figgins, R. Lamb, C. E. Webster, J. H. Delcamp, and E. T. Papish. "Effect of Donor Groups on Ruthenium CNC pincer Complex for Reduction of Carbon dioxide" Abstracts, Southeastern Regional Meeting of the American Chemical Society, SERMACS 2021, Birmingham, AL, United States, November 10-13 (2021), SERMACS-944. E. T. Papish, C. M. Boudreaux, C. E. Webster, and J. H. Delcamp. "First Row Transition Metal Photocatalysts for CO2 reduction: control of the coordination environment" Abstracts, Southeastern Regional Meeting of the American Chemical Society, SERMACS 2021, Birmingham, AL, United States, November 10-13 (2021), SERMACS-767. O. E. Oladipupo, S. Brown, R. Lamb, J. Gray, C. Cameron, A. DeRegnaucourt, N. Ward, F. Hall, Y. Xu, and C. Petersen. "Light-responsive and protic ruthenium compounds bearing bathophenanthroline and dihydroxybipyridine ligands achieve nanomolar toxicity towards breast cancer cells" Abstracts, Southeastern Regional Meeting of the American Chemical Society, SERMACS 2021, Birmingham, AL, United States, November 10-13 (2021), SERMACS-476. E. T. Papish, S. Das, C. E. Webster, and J. H. Delcamp. "Highly Active and Robust Ruthenium Photocatalysts for CO2 Reduction: Exploring Electronic and Steric Effects for both Sensitized and Self-Sensitized Catalysts" Abstracts, Southeastern Regional Meeting of the American Chemical Society, SERMACS 2021, Birmingham, AL, United States, November 10-13 (2021), SERMACS-226. P. Wang, G. Liang, N. Smith, K. Hill, C. E. Webster, and X. Zhao. "Electro- and photocatalytic hydrogen generation in neutral water by molecular cobalt polypyridyl complexes" Abstracts of Papers, 260th ACS National Meeting & Exposition, San Francisco, CA, United States, August 23-27, 2020 (2020), INOR-0396. P. Wang, G. Liang, N. Smith, K. Hill, C. E. Webster, and X. Zhao. "Electro- and photocatalytic hydrogen generation by molecular cobalt polypyridyl complexes in aqueous solution" Abstracts of Papers, 260th ACS National Meeting & Exposition, San Francisco, CA, United States, August 23-27, 2020 (2020), INOR-0248. K. E. Krantz, S. L. Weisflog, W. Yang, D. A. Dickie, N. C. Frey, C. E. Webster, and R. J. Gilliard. "Pyrene-fused inorganic rings containing germanium and boron for hybrid materials" Abstracts of Papers, 260th ACS National Meeting & Exposition, San Francisco, CA, United States, August 23-27, 2020 (2020), INOR-0149. E. T. Papish, S. Das, C. M. Boudreaux, W. Yao, D. B. Burks, J. H. Delcamp, C. E. Webster, and A. K. Vannucci. "Carbon dioxide reduction catalysis with protic metal pincer complexes" Abstracts, 71st Southeastern Regional Meeting of the American Chemical Society, Savannah, GA, United States, October 20-23 (2019), SERMACS-254. D. B. Burks, R. W. Lamb, S. Das, C. M. Boudreaux, C. E. Webster, E. T. Papish, "Mechanistic Studies of Ruthenium CNC-Pincer Complexes for Carbon Dioxide Reduction Catalysis" Feeding and Powering the World 2019: The Next Generation, July 15-16, 2019, The University of Mississippi, Oxford, MS. P. Wang, G. Liang, E. Towles, D. Li, C. Boyd, K. Hill, B. Shaver, W. Grubbs, C. E. Webster, and X. Zhao. "Molecular cobalt complexes with pentadentate ligands for electro- and photocatalytic hydrogen generation in aqueous solution" Abstracts of Papers, 258th ACS National Meeting & Exposition, San Diego, CA, United States, August 25-29, 2019 (2019), INOR-0602. S. Autry, M. Zhang, E. Dornshuld, T. K. Hollis, C. E. Webster, and N. Hammer. "Probing the effects of environment on novel CCC-NHC-Pt(II) pincer complexes" Abstracts of Papers, 257th ACS National Meeting & Exposition, Orlando, FL, United States, Mar. 31-Apr. 4, 2019 (2019), YCC-0026. E. T. Papish, S. Das, C. M. Boudreaux, D. B. Burks, R, R, Rodrigues, C. E. Webster, J. H. Delcamp, "Pyridinol-based CNC Pincer catalysts for carbon dioxide reduction: The big impact of one small remote group" Abstracts of Papers, 257th ACS National Meeting & Exposition, Orlando, FL, United States, Mar. 31-Apr. 4, 2019 (2019), INOR-0536. E. Caldona, M. Zhang, T. K. Hollis, C. E. Webster, D. Wipf, D. W. Smith, "Corrosion inhibition of mild steel in acidic medium by simple triazole- and imidazole-based aromatic compounds" Abstracts of Papers, 257th ACS National Meeting & Exposition, Orlando, FL, United States, Mar. 31-Apr. 4, 2019 (2019), ANYL-0367. J. H. Delcamp, J. W. Jurss, E. T. Papish, C. E. Webster, R. H. Schmehl, A. Huckaba, H. Shirley, X. Su, R. R. Rodrigues, R. Lamb, S. Guertin, C. M. Boudreaux, S. Das, "Visible light driven photocatalytic reduction of CO2 and protons with molecular catalysts" Abstracts, 74th Southwest Regional Meeting of the American Chemical Society, Little Rock, AR, United States, November 7-10 (2018), SWRM-57. E. Caldona, M. Zhang, T. K. Hollis, C. E. Webster, D. Wipf, D. W. Smith, "Corrosion inhibition of mild steel in acidic medium by simple triazole- and imidazole-based aromatic compounds" Abstracts, 74th Southwest Regional Meeting of the American Chemical Society, Little Rock, AR, United States, November 7-10 (2018), SWRM-36. E. T. Papish, S. Das, C. M. Boudreaux, D. B. Burks, F. Qu, R. R. Rodrigues, R. W. Lamb, J. H. Delcamp, C. E. Webster, "Pyridinol-based CNC Pincer catalysts for carbon dioxide reduction: The big impact of one small remote group" Abstracts, 70th Southeastern Regional Meeting of the American Chemical Society, Augusta, GA, United States, October 31-November 3 (2018), SERMACS-740. X. Zhao, P. Wang, X. Hu, G. Liang, P. Li, C. Mokry, S. Lei, M. Sow, C. Odero, C. E. Webster, "Hydrogen production catalyzed by molecular Co complexes with polydentate ligands in aqueous solution" Abstracts of Papers, 256th ACS National Meeting & Exposition, Boston, MA, United States, August 19-23, 2018 (2018), INOR-238. R. Adams, A. Griffith, G. Liang, C. E. Webster, R. H. Schmehl, "Identification of the intermediates and products formed during osmium hydride protonation in acetonitrile" Feeding and Powering the World 2018: Planning for the Future, July 16-17, 2018, The University of Mississippi, Oxford, MS. S. Autry, M. Zhang, J. Gayton, T. K. Hollis, C. E. Webster, J. Delcamp, N. I. Hammer, "Spectroscopic Characterization of Newly Developed Systems and Challenges to Overcome" Feeding and Powering the World 2018: Planning for the Future, July 16-17, 2018, The University of Mississippi, Oxford, MS. S. Davis, D. Burks, R. W. Lamb, X. Liu, R. R. Rodrigues, N. P. Liyanage, Y. Sun, C. E. Webster, E. T. Papish, J. H. Delcamp, "Nickel(II) Pincer Complexes Demonstrate that the Remote Substituent Controls Catalytic Carbon Dioxide Reduction" Feeding and Powering the World 2018: Planning for the Future, July 16-17, 2018, The University of Mississippi, Oxford, MS. G. Ragunathan, P. R. Fontenot, B. Shan, B. Wang, A. Obanda, A. F. Greene, J. T. Mague, L. A. Hunt, N. Hammer, P. Shinde, S. Pan, C. E. Webster, R. H. Schmehl, J. P. Donahue, "New Developments in Catalytic H 2 -Formation by Molybdenum Sulfide Clusters" Feeding and Powering the World 2018: Planning for the Future, July 16-17, 2018, The University of Mississippi, Oxford, MS. H. P. Shirley, A. J. Huckaba, R. W. Lamb, S. Guertin, S. Autry, H. Cheema, K. Talukdar, T. Jones, J. W. Jurss, A. Dass, N. I. Hammer, R. H. Schmehl, C. E. Webster, J. H. Delcamp, "A Novel Homogeneous Tungsten Catalyst for the Photocatalytic production of H₂" Feeding and Powering the World 2018: Planning for the Future, July 16-17, 2018, The University of Mississippi, Oxford, MS. E. T. Papish, S. Das, D. B. Burks, C. Boudreaux, N. Liyanage, S. B. Davis, R. W. Lamb, V. Dixit, F. Qu, C. E. Webster, J. H. Delcamp, "Carbon dioxide reduction with transition metals and proton responsive pyridinol based pincer ligands" Abstracts of Papers, 255th ACS National Meeting & Exposition, New Orleans, LA, United States, March 18-22, 2018 (2018), INOR-1297. X. Zhao, P. Wang, P. Li, C. Mokry, S. Lei, M. Sow, C. Odero, G. Liang, C. E. Webster, "Electronic and steric effects on hydrogen production catalyzed by molecular Co complexes with pentadentate ligands in aqueous solution" Abstracts of Papers, 255th ACS National Meeting & Exposition, New Orleans, LA, United States, March 18-22, 2018 (2018), INOR-510. P. R. Fontenot, B. Shan, B. Wang, S, Simpson, A. F. Greene, L. A. Hunt, N. Hammer, C. E. Webster, J. T. Mague, R. H. Schmehl, J. P. Donahue "Evidence for the photo-activation from a [Mo3S7(S2CNR2)3]+ pre-catalyst to a Mo3S4 core complex as a hydrogen evolution catalyst in alkaline media" Abstracts of Papers, 255th ACS National Meeting & Exposition, New Orleans, LA, United States, March 18-22, 2018 (2018), INOR-508. P. Wang, S. Lei, M. Sow, M. Long, R. Reddy, G. Liang, C. E. Webster, X. Zhao, "Syntheses and characterization of molecular cobalt complexes with pentadentate ligands for electro- and photocatalytic hydrogen production" Abstracts of Papers, 255th ACS National Meeting & Exposition, New Orleans, LA, United States, March 18-22, 2018 (2018), INOR-390. A. Huckaba, H. P. Shirley, R. W. Lamb, S. L. Guertin, S. Autry, H. A. Cheema, K. Talukdar, Jones, Tanya C.; J. W. Jurss, A. Dass, N. Hammer, R. H. Schmehl, C. E. Webster, J. H. Delcamp "Investigation into the mechanism of proton reduction catalysis by chromophore-catalyst [W(PyNHCPhCF₃)(CO)₄]" Abstracts, 69th Southeastern Regional Meeting of the American Chemical Society, Charlotte, NC, United States, November 7-11 (2017), SERMACS-508. H. P. Shirley, A. Huckaba, R. W. Lamb, S. L. Guertin, S. Autry, H. A. Cheema, K. Talukdar, Jones, Tanya C.; J. W. Jurss, A. Antonysamy, N. Hammer, R. H. Schmehl, C. E. Webster, J. H. Delcamp "Photocatalytic H₂ production via a homogeneous tungsten catalyst" Abstracts, 69th Southeastern Regional Meeting of the American Chemical Society, Charlotte, NC, United States, November 7-11 (2017), SERMACS-1268. E. T. Papish, D. B. Burks, S. Siek, A. J. Curto, G. Liang, S. Autry, J. Shankwitz, C. E. Webster, N. Hammer, G. Szulczewski, "Metal complexes of 6,6'-dihydroxybipyridine catalyze energy related transformations including water oxidation and carbon dioxide reduction" Abstracts, 69th Southeastern Regional Meeting of the American Chemical Society, Charlotte, NC, United States, November 7-11 (2017), SERMACS-385. X. Zhao, P. Wang, G. Liang, M. Long, D. Reese, A. Bah, C. C. James, Y. Sun, L. Duan, C. E. Webster, "Electronic and steric effects on hydrogen production catalyzed by molecular Co complexes with pentadentate ligands in aqueous solution" Abstracts of Papers, 254th ACS National Meeting & Exposition, Washington, DC, USA, August 20-24, 2017 (2017), INOR-904. S. L. Guertin, A. J. Huckaba, H. Shirley, R. Lamb, S. Autry, H. Cheema, K. Talukdar, T. Jones, J. W. Jurss, A. Dass, N. I. Hammer, R. H. Schmehl, C. E. Webster, J. H. Delcamp, "Investigation into the Mechanism of Proton Reduction Catalysis by Chromophore-Catalyst [W(PyNHCPhCF₃)(CO)₄]" Feeding and Powering the World 2017: Building the Knowledge Base, June 19-20, 2017, The University of Mississippi, Oxford, MS. S. A. Autry, M. Zhang, V. Dixit, T. K. Hollis, C. E. Webster, N. I. Hammer, "Spectroscopic Characterization of the Physical and Photophysical Properties of Newly Developed Platinum Pincer Complexes" Feeding and Powering the World 2017: Building the Knowledge Base, June 19-20, 2017, The University of Mississippi, Oxford, MS. R. Adams, T. A. Grusenmeyer, G. Liang, C. E. Webster, R. H. Schmehl, "Dramatically Enhanced Hydride Protonation Rates following Photoinduced One Electron Reduction of Os(II) Hydride Complexes" Feeding and Powering the World 2017: Building the Knowledge Base, June 19-20, 2017, The University of Mississippi, Oxford, MS. S. A. Autry, M. Zhang, V. Dixit, T. K. Hollis, C. E. Webster, N. Hammer, "Spectroscopic characterization of the physical and photo-.physical properties of pewly peveloped platinum pincer complexes" Abstracts of Papers, 253rd ACS National Meeting & Exposition, San Francisco, CA, United States, April 2-6, 2017 (2017), PHYS-456. X. Zhao, Xuan; P. Ping; Y. Yue; L. Lian; M. Long, D. Reese, A. Bah, C. James, G. Liang, C. E. Webster, "Electro- and photolytic hydrogen production catalyzed by molecular Co complexes with pentadentate ligands in aqueous solution"Abstracts of Papers, 253rd ACS National Meeting & Exposition, San Francisco, CA, United States, April 2-6, 2017 (2017), INOR-1369. E. T. Papish, S. Siek, D. B. Burks, C. Boudreaux, D. L. Gerlach, G. Liang, D. B. Grotjahn, C. E. Webster, "Pyridinol based ligands for transition metal catalyzed reduction of CO₂ and related substrates: Elucidating the role of Lewis Acids" Abstracts of Papers, 253rd ACS National Meeting & Exposition, San Francisco, CA, United States, April 2-6, 2017 (2017), INOR-614. X. Zhao, S. Powers, P. Wang, R. Mittapalli, K. Knight, T. Rice, C. Lyons, K. Driskill, G. Liang, C. E. Webster, "Hydrogen production catalyzed by molecular Co complexes with pentadentate ligands" Abstracts of Papers, 252nd ACS National Meeting & Exposition, Philadelphia, PA, United States, August 21-25, 2016 (2016), INOR-53. H. P. Shirley, H. Cheema, T. Jones, A. J. Huckaba, A. Dass, C. E. Webster, J. H. Delcamp, "Photocatalytic H₂ Production Via Tungsten Catalyst" Feeding and Powering the World 2016: Building the Network, The University of Mississippi, Oxford, MS, July 25-26, 2016. T. K. Hollis, C. E. Webster, "Rare or Unique Molecular Structures Obtained While Exploring CCC-NHC Pincer Ta Complex Syntheses in Search of a C-H activation Catalyst: Oxidative Amination of Alkenes" Gordon Research Conferences - Organometallics, Newport, RI, July 2015. T. K. Hollis, C. E. Webster, S. W. Reilly, T. R. Helgert, H. K. Box, H. U. Valle, A. G. Oliver, W. D. Clark, "Next Generation Ligand Architectures: CCC-NHC pincer updates: Product Identification, Methods and the Latest Ta Synthetic Methods and Applications" POLYMAT 2015: International Conference about Polymers and Advanced Materials, Huatulco, Mexico, October 18-22, 2015. X. Zhao, M. Yanney, M. Vennampalli, G. Liang, C. E. Webster, "Electro- and photolytic hydrogen production by mononuclear cobalt complexes with pentadentate ligands" Preprints - American Chemical Society, Division of Energy & Fuels (2015), 60(2), 299-300. X. Zhao, M. Yanney, M. Vennampalli, G. Liang, C. E. Webster, "Electro- and photolytic hydrogen production by mononuclear cobalt complexes with pentadentate ligands" Abstracts of Papers, 250th ACS National Meeting & Exposition, Boston, MA, United States, August 16-20, 2015 (2015), ENFL-182. X. Zhao, M. Vennampalli, G. Liang, L. Katta, C. E. Webster, "Electronic tuning of H₂ production catalyzed by Co complexes with pentadentate ligands" Abstracts of Papers, 249th ACS National Meeting & Exposition, Denver, CO, United States, March 22-26, 2015 (2015), INOR-873. W. D. Clark, T. K. Hollis, K. N. Leigh, C. E. Webster, "Mechanistic investigations in the hydroamination/cyclization of unactivated amino-alkenes with CCC-NHC Zr pincer complexes" Abstracts, 49th Midwest Regional Meeting of the American Chemical Society, Columbia, MO, United States, November 12-15 (2014), MWRM-451. T. K. Hollis, C. E. Webster, T. R. Helgert, H. K. Box, H. U. Valle, A. G. Oliver, W. D. Clark, "Next generation ligand architectures: CCC-NHC pincer Ta complexes; synthetic methods and applications" Abstracts, 49th Midwest Regional Meeting of the American Chemical Society, Columbia, MO, United States, November 12-15 (2014), MWRM-260. X. Zhao, M. Vennampalli, G. Liang, M. Zhang, C. E. Webster, "Electronic effect on catalytic H₂ production by Co complexes with pentadentate ligands" Abstracts of Papers, 248th ACS National Meeting & Exposition, San Francisco, CA, United States, August 10-14, 2014 (2014), INOR-1083. X. Zhao, M. Vennampalli, C. Que, T. Baine, M. Zhang, G. Liang, J. C. Bollinger, C. E. Webster, "Electro- and photocatalytic H₂ production by Co complexes with pentadentate ligands" Abstracts of Papers, 247th ACS National Meeting & Exposition, Dallas, TX, United States, March 16-20, 2014 (2014), INOR-837. J. O. Johnson, R. G. Letterman, E. J. Heilweil, C. E. Webster, T. J. Burkey, "Synthesis and characterization of (η⁵-Pentalenyl)Mn(CO)₂ complexes with tethered functional groups: Development of organometallic photochromes" Abstracts of Papers, 247th ACS National Meeting & Exposition, Dallas, TX, United States, March 16-20, 2014 (2014), INOR-286. M. Silkowski, N. J. DeYonker, C. E. Webster, X. Zhao, G. R. Shelton, "Synthesis and characterization of ligands for organometallic biomimetic catalysts" Abstracts of Papers, 247th ACS National Meeting & Exposition, Dallas, TX, United States, March 16-20, 2014 (2014), CHED-1133. L. T. Nguyen, N. J. DeYonker, C. E. Webster, X. Zhao, G. R. Shelton, "In silico de novo development and design of ligands for organometallic biomimetic catalysts" Abstracts of Papers, 247th ACS National Meeting & Exposition, Dallas, TX, United States, March 16-20, 2014 (2014), CHED-639. (Invited) W. D. Clark, J. Cho, H. U. Valle, T. R. Helgert, T. K. Hollis, E. J. Valente, K. N. Leigh, C. E. Webster, "Mechanistic investigations in the hydroamination/cyclization of unactivated amino-alkenes with a CCC-NHC Zr pincer complex" Abstracts, 69th Southwest Regional Meeting of the American Chemical Society, Waco, TX, United States, November 16-19 (2013), SWRM-568. G. E. Tyson, K. Tokmic, D. Rabinovich, H. U. Valle, T. K. Hollis, C. E. Webster, J. T. Kelly, N. I. Hammer, "Synthesis, characterization, and photophysical properties of a novel bis(N-heterocyclic thione) (NHT's) SCS-Pd pincer complex" Abstracts, 65th Southeast Regional Meeting of the American Chemical Society, Atlanta, GA, United States, November 13-16 (2013), SERM-757. T. R. Helgert, T. K. Hollis, A. G. Oliver, H. U. Valle, Y. Wu, C. E. Webster, "CCC-NHC Pincer Ta (V) Complexes: Synthesis, Ligand Exchange, NHC Rearrangement to a Mixed NHC-MIC (Mesoionic Carbene) Pincer, and Intramolecular Catalytic Oxidative Hydroamination of Alkenes" Abstracts, 65th Southeast Regional Meeting of the American Chemical Society, Atlanta, GA, United States, November 13-16 (2013), SERM-590. W. D. Clark, J. Cho, H. U. Valle, T. R. Helgert, T. K. Hollis, E. J. Valente, K. N. Leigh, C. E. Webster, "Mechanistic investigations in the hydroamination/cyclization of unactivated amino-alkenes with a CCC-NHC Zr pincer complex" Abstracts, 65th Southeast Regional Meeting of the American Chemical Society, Atlanta, GA, United States, November 13-16 (2013), SERM-158. M. Zhang, Min; C. Xie, G. Liang, J. C. Bollinger, C. E. Webster, X. Zhao, "Synthesis and characterization of metal complexes with pentadentate ligands for catalytic H₂ evolution" Abstracts of Papers, 246th ACS National Meeting & Exposition, Indianapolis, IN, United States, September 8-12, 2013 (2013), INOR-158. M. Vennampalli, G. Liang, J. C. Bollinger, C. E. Webster, X, Zhao, "Design of mononuclear metal complexes with polypyridyl ligands for catalytic H₂ production" Abstracts of Papers, 246th ACS National Meeting & Exposition, Indianapolis, IN, United States, September 8-12, 2013 (2013), INOR-159. B. Captain, A. Koppaka, D. Isrow, N. J. DeYonker, C. E. Webster, "Small molecule activation by the nitroxide containing complex Ni(η²-TEMPO)₂" Abstracts of Papers, 246th ACS National Meeting & Exposition, Indianapolis, IN, United States, September 8-12, 2013 (2013), INOR-216. X. Zhao, M. Vennampalli, C. Que, T. Baine, M. Zhang, G. Liang, C. Xie, J. C. Bollinger, C. E. Webster, "Design of molecular metal complexes with polydentate ligands for H₂ production" Abstracts of Papers, 246th ACS National Meeting & Exposition, Indianapolis, IN, United States, September 8-12, 2013 (2013), INOR-484. C. Que, H. Duan, M. Yang, K. Abubakar, J. C. Bollinger, B. Yan, C. E. Webster, X. Zhao, "Mononuclear nickel polypyridine complex as robust electro- and photocatalyst for H₂ production" Abstracts of Papers, 246th ACS National Meeting & Exposition, Indianapolis, IN, United States, September 8-12, 2013 (2013), INOR-485. M. Vennampalli, C. Que, T. Baine, M. Zhang, J. C. Bollinger, C. E. Webster, X. Zhao, "Catalytic water splitting by metal complexes based on tris(2-pyridylmethyl)amine derivatives" Abstracts of Papers, 246th ACS National Meeting & Exposition, Indianapolis, IN, United States, September 8-12, 2013 (2013), ENFL-117. E. J. Heilweil, T J. Burkey, J. O. Johnson, R. G. Letterman, C. E. Webster, "Design of organometallic photochromes: Utilizing linkage isomerization in the production of ultrafast devices" Abstracts of Papers, 245th ACS National Meeting & Exposition, New Orleans, LA, United States, April 7-11, 2013 (2013), INOR-774. J. O. Johnson, K. L. Mosley, R. G. Letterman, P. P. Lubet, C. E. Webster, T. J. Burkey, "Synthesis and properties of organometallic photochromes based on (η⁵-cyclopentadienyl)Mn(CO)₃ and (η⁵-pentalenyl)Mn(CO)₃ complexes" Abstracts of Papers, 245th ACS National Meeting & Exposition, New Orleans, LA, United States, April 7-11, 2013 (2013), INOR-731. X. Zhao, H. Duan, C. Que, M. Yang, K. Abubakar, D. L. Baker, B. Yan, C. E. Webster, "Hydrogen evolution catalyzed by molecular nickel complex with DPA-Bpy ligand" Abstracts of Papers, 245th ACS National Meeting & Exposition, New Orleans, LA, United States, April 7-11, 2013 (2013), INOR-712. T. Baine, W. M. Singh, S. Kudo, S. Tian, H. Zhou, N. J. DeYonker, T. C. Pham, J. C. Bollinger, D. L. Baker, B. Yan, Y. Lu, C. E. Webster, X. Zhao, "Electrocatalytic and photocatalytic hydrogen production in aqueous solution by a molecular cobalt complex" Abstracts of Papers, 244th ACS National Meeting & Exposition, Philadelphia, PA, United States, August 19-23, 2012 (2012), INOR-521. X. Zhao, W. M. Singh, T. Baine, C. E. Webster, B. Yan, S. Tian, H. Zhou, "Hydrogen evoduction catalyzed by molecular cobalt complexes in aqueous solution" Abstracts of Papers, 244th ACS National Meeting & Exposition, Philadelphia, PA, United States, August 19-23, 2012 (2012), INOR-18. T. Baine, W. M. Singh, 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" The TN-SCORE Annual Conference, Vanderbilt Marriot, Nashville, June 15, 2012. T. J. Burkey, E. J. Heilweil, J. O. Johnson, K. L. Mosley, P. P. Lubet, C. E. Webster, "Preparation and photochemistry of cyclopentadienyl manganese tricarbonyl derivatives with pendant hydrazone and pyridine groups" Abstracts of Papers, 243rd ACS National Meeting & Exposition, San Diego, CA, United States, March 25-March 29, 2012 (2012), INOR-1001. T. J. Burkey, C. B. Duke, R. G. Letterman, C. R. Ross, C. E. Webster, "Synthetic, structural, photochemical, and thermochemical studies of arene chromium tricarbonyl complexes with tethered pyridine groups" Abstracts of Papers, 243rd ACS National Meeting & Exposition, San Diego, CA, United States, March 25-March 29, 2012 (2012), INOR-1000. C. Que, M. Singh, C. E. Webster, X. Zhao, "Water oxidation by metal complexes with tris(2-pyridylmethyl)amine and derivatives" Abstracts of Papers, 243rd ACS National Meeting & Exposition, San Diego, CA, United States, March 25-March 29, 2012 (2012), INOR-814. T. Baine, W. M. Singh, S. Kudo, N. J. DeYonker, T. C. Pham, D. L. Baker, C. E. Webster, X. Zhao, "Electrocatalytic and Photocatalytic Hydrogen Production from Water by a Molecular Pentacoordinated Cobalt Complex" Solar Fuels: Science, Engineering & Policy, Jan. 11-12, 2012, hosted by Duke University and the Solar Energy Research Center (SERC) at UNC-Chapel Hill (http://www.serc.unc.edu/conf/) H. Duan, T. C. Pham, D. L. Baker, C. E. Webster, X. Zhao, H. Zhou, J. C. Bollinger, B. Yan, Z. Wu, S. Tian, Y. Lu, "Synthesis, characterization, and reactivity of Mn complex with DPA-Bpy ligand" Solar Fuels: Science, Engineering & Policy, Jan. 11-12, 2012, hosted by Duke University and the Solar Energy Research Center (SERC) at UNC-Chapel Hill (http://www.serc.unc.edu/conf/) S. Kudo, W. M. Singh, T. Baine, N. DeYonker, C. E. Webster, X. Zhao, "Thermodynamic Study of Hydrogen Evolution from Water by Mononuclear Pentacoordinated Cobalt Complex" Solar Fuels: Science, Engineering & Policy, Jan. 11-12, 2012, hosted by Duke University and the Solar Energy Research Center (SERC) at UNC-Chapel Hill (http://www.serc.unc.edu/conf/) T. K. Hollis, X. Zhang, A. M. Wright, N. J. DeYonker, N. I. Hammer, C. E. Webster, E. J. Valente, "Synthesis, air-stability, photo-bleaching, and DFT modeling of blue light-emitting platinum CCC-N-heterocyclic carbene pincer complexes" Abstracts, 63rd Southeast Regional Meeting of the American Chemical Society, Richmond, VA, United States, October 26-29 (2011), SERM-599. T. C. T. Pham, I. W. Wanjala, A. L. Howard, D. K. Breland, N. J. DeYonker, C. E. Webster, A. L. Parrill, D. L. Baker, "Characterizing the structure and function of lipid preferring nucleotide pyrophosphatase phosphodiesterases using computational and experimental methods" Abstracts, 63rd Southeast Regional Meeting of the American Chemical Society, Richmond, VA, United States, October 26-29 (2011), SERM-274. X. Zhao, J. Ivie, W. M. Singh, B. Radaram, R. M. Grudzien, J. H. Reibenspies, C. E. Webster, "Water oxidation by mononuclear ruthenium complexes with TPA-based ligands" 242nd ACS National Meeting & Exposition, Denver, CO, United States, August 28-September 1, 2011 (2011), INOR-196. P. L. Ranaivo, S. J. Symes, J. D. Swan, C. E. Webster, P. S. Simone, G. L. Emmert, "Structural Determination of the Products from the Reaction of Haloacetic Acid with Nicotinamide in Drinking Water Analysis" PITTCON Conference and Expo 2011, Atlanta, GA, United States, March 13-18, 2011, Session 1870-7. T. J. Burkey, K. L. Mosley, C. E. Webster, K. R. Ruddick, P. P. Lubet, J. O. Johnson, E. J. Heilweil, "Photochromic cyclopentadiene manganese tricarbonyl derivatives: Participation of imine group during linkage isomerization" Abstracts of Papers, 240th ACS National Meeting, Boston, MA, United States, August 22-26, 2010, INOR-652. K. L. Mosley, K. R. Ruddick, J. O. Johnson, C. E. Webster, T. J. Burkey, "Synthesis of new photochromic organometallics based on a linkage isomerization" Abstracts of Papers, 240th ACS National Meeting, Boston, MA, United States, August 22-26, 2010, INOR-567. X. Zhao, R. Grudzien, J. A. Ivie, K. R. Ruddick, C. E. Webster, "Water oxidation by ruthenium complexes with tris(2-pyridylmethyl)amine derivatives" Abstracts of Papers, 240th ACS National Meeting, Boston, MA, United States, August 22-26, 2010, FUEL-83. P. P. Kannam, R. Grudzien, J. A. Ivie, K. R. Ruddick, C. E. Webster, X. Zhao, "Design of Ru Complexes for Water Oxidation" 33rd Annual Area Collegiate Chemistry Meeting, Apr. 10, 2010, hosted by the University of Tennessee at Martin X. Zhao, R. Grudzien, J. Ivie, K. R. Ruddick, C. E. Webster, "Design of Ru complexes for water oxidation" Abstracts of Papers, 239th ACS National Meeting, San Francisco, CA, United States, March 21-25, 2010, INOR-933. K. Camara, R. Letterman, C. E. Webster, X. Zhao, "Synthesis and characterization of Mn-Ca complexes for water oxidation" Abstracts of Papers, 239th ACS National Meeting, San Francisco, CA, United States, March 21-25, 2010, INOR-241. K. L. Mosley, K. Ruddick, C. E. Webster, E. J. Heilweil, T. J. Burkey, "Synthesis and Photochemistry of Novel Organometallics" Abstracts, 38th Great Lakes Regional Meeting of the American Chemical Society, Chicago, IL, United States, May 13-16, 2009, GLRM-227. E. J. Heilweil, K. Mosley, K. R. Ruddick, C. E. Webster, T. J. Burkey, "Photochromic cyclopentadienyl manganese tricarbonyl derivatives: Studies of linkage isomerization and ultrafast time resolved infrared spectroscopy" Abstracts of Papers, 237th ACS National Meeting, Salt Lake City, UT, United States, March 22-26, 2009, INOR-435. K. L. Mosley, K. Ruddick, C. E. Webster; E. J. Heilweil, T. J. Burkey, "Synthesis and Photochemistry of New Photochromic Organometallics" Abstracts, 60th Southeast Regional Meeting of the American Chemical Society, Nashville, TN, United States, November 12-15, 2008, SERM-409. K. L. Mosley, K. R. Ruddick, C. E. Webster, E. J. Heilweil, T. J. Burkey, "Synthesis and Photochemistry of New Photochromic Organometallics" Graduate student poster presentation at 2009 Undergraduate Research Conference. E. J. Heilweil, K. L. Mosley, C. E. Webster, K. Ruddick, T. J. Burkey, "Ultrafast Time Resolved Infrared Spectroscopy of Photochromic Cyclopentadienyl Manganese Tricarbonyl Derivatives" Abstracts, 60th Southeast Regional Meeting of the American Chemical Society, Nashville, TN, United States, November 12-15, 2008, SERM-106. S. Kumar, D. L. Watkins, D. K. Breland, C. E. Webster, T. Fujiwara, "Solvatochromism of a Unique Bispiropyran" International Symposium on Stimuli-Responsive Materials, Hattiesburg, MS, United States, October 28-30, 2008. M. B. Hall, C. E. Webster, S. D. Zaric, "Theoretical identification of the intermediates and the reaction mechanism in the carbon-hydrogen bond activation by the photochemically generated hydrotris (3,5-dimethylpyrazol-1-yl) borato carbonyl rhodium" Abstracts of Papers, 233rd ACS National Meeting, Chicago, IL, United States, March 25-29, 2007, INOR-1070. B. A. Vastine, C. E. Webster, M. B. Hall, "Theoretical Studies of Oxidative Addition/Reductive Elimination through Pt(II)/Pt(IV) Centers by Density Functional Theory." Abstracts, 60th Southwest Regional Meeting of the American Chemical Society, Fort Worth, TX, United States, September 29-October 4, 2004, SEPT04-066. C. Beddie, C. E. Webster, Y. Fan, M. B. Hall, "Density Functional Theory Investigations on the Mechanism of Urea Degradation Catalyzed by Urease Model Complexes." Abstracts, 60th Southwest Regional Meeting of the American Chemical Society, Fort Worth, TX, United States, September 29-October 4, 2004, SEPT04-456. 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" Poster presented at the 7th European Biological Inorganic Chemistry Conference (EUROBIC 7), Garmisch-Partenkirchen, Germany, August 29-September 2, 2004. C. E. Webster, M. B. Hall, "Separating Electronic, Steric, and Packing Interactions in Crystallographic Structures By Density Functional Theory" Seminar presented at the Annual National Meeting of the American Crystallographic Association (ACA), Chicago, IL, July 17-22, 2004. Y. B. Fan, C. E. Webster, M. B. Hall, "Theoretical study on the mechanism of the regiospecific functionalization of alkanes catalyzed by CpRh(η⁴-C₆H₆) complex." Abstracts of Papers, 225th ACS National Meeting, New Orleans, LA, United States, March 23-27, 2003, INOR-665, 225, U128. S. D. Zaric, C. E. Webster, M. B. Hall, "Theoretical study of alkane activation by tris (pyrazolyl)borate rhodium carbonyl." Abstracts of Papers, 225th ACS National Meeting, New Orleans, LA, United States, March 23-27, 2003, INOR-752, 225, U142. C. E. Webster, M. B. Hall, "Theoretical studies of inorganic and organometallic reaction mechanisms: Carbon-hydrogen and carbon-carbon bond activation of cyclopropane by cationic iridium(III) and neutral rhodium(I) and iridium(I) complexes." Abstracts of Papers, 224th ACS National Meeting, Boston, MA, United States, August 18-22, 2002, INOR-013, 224, U642. C. E. Webster, M. B. Hall, "Predicting Structures and Energetics in Transition Metal Polyhydride Complexes" Seminar presented at the XIX Congress and General Assembly of the International Union of Crystallography (IUCr), Geneva, Switzerland, August 6-15, 2002. M. B. Hall, C. E. Webster, "The theoretical transition state structure of a model complex bears a striking resemblance to the active site structure of DMSO reductase." Poster presented at the International Conference on Bioinorganic Chemistry (ICBIC) 10, Florence, Italy, August 26-31, 2001; J Inorg Biochem 2001, 86, 246. C. E. Webster, M. B. Hall, "Theoretical Studies of the Reaction Mechanism of Dimethylsulfoxide Reductase with Inorganic Model Complexes: Six vs. Seven Coordinate Reaction Mechanism and DMSO Coordination to the Active Site" Poster presented at Molybdenum & Tungsten Enzymes, Gordon Research Conference, Queen's College, Oxford, England, July 1-6, 2001. C. E. Webster, M. B. Hall, "Structure and rearrangements of an Ir tris(pyrazolyl)borate tetrahydride complex" Poster presented at EURO-Hydrides 2000, Université de Bourgogne, Dijon, France, September 6-9, 2000. C. R. Bowers, J. Bharatam, V. Storhaug, C. E. Webster, A. Cottone, R. Gianna, B. J. Gaffney, "Laser-polarized xenon-(129) NMR & BET isotherm analysis of Xe adsorption on lyophilized proteins." Platform presented at the Federation of American Societies for Experimental Biology (FASEB), Biophysical Society 43rd Annual Meeting, Baltimore, MD, February 13-17, 1999; Biophys J 1999, 76, A136.