Charles Edwin Webster, Ph.D. - Publications

Affiliations: 
2005-2014 Chemistry The University of Memphis, Memphis, TN, United States 
 2014- Chemistry Mississippi State University, Starkville, MS, United States 
Area:
computational chemistry, catalysis, inorganic chemsitry
Website:
http://webster.chemistry.msstate.edu/

70 high-probability publications. We are testing a new system for linking publications to authors. You can help! If you notice any inaccuracies, please sign in and mark papers as correct or incorrect matches. If you identify any major omissions or other inaccuracies in the publication list, please let us know.

Year Citation  Score
2020 Zhao X, Wang P, Liang G, Smith N, Hill K, Donnadieu B, Webster CE. Enhanced Catalytic Hydrogen Evolution in Neutral Water by A Cobalt Complex with Softer Polypyridyl Ligand. Angewandte Chemie (International Ed. in English). PMID 32307871 DOI: 10.1002/anie.202002640  1
2019 Das S, Rodrigues RR, Lamb RW, Qu F, Reinheimer E, Boudreaux CM, Webster CE, Delcamp JH, Papish ET. Highly Active Ruthenium CNC Pincer Photocatalysts for Visible-Light-Driven Carbon Dioxide Reduction. Inorganic Chemistry. PMID 31185538 DOI: 10.1021/acs.inorgchem.9b00791  1
2018 Kosgei GK, Breen DJ, Lamb RW, Livshits MY, Crandall LA, Ziegler CJ, Webster CE, Rack JJ. Controlling Photoisomerization Reactivity Through Single Functional Group Substitutions in Ruthenium Phosphine Sulfoxide Complexes. Journal of the American Chemical Society. PMID 30048128 DOI: 10.1021/jacs.8b05957  1
2018 Wang P, Liang G, Reddy MR, Long M, Driskill K, Lyons C, Donnadieu B, Bollinger JC, Webster CE, Zhao X. Electronic and Steric Tuning of Catalytic H2 Evolution by Cobalt Complexes with Pentadentate Polypyridyl-Amine Ligands. Journal of the American Chemical Society. PMID 29949370 DOI: 10.1021/jacs.8b05108  1
2018 Burks DB, Davis S, Lamb RW, Liu X, Rodrigues RR, Liyanage NP, Sun Y, Webster CE, Delcamp JH, Papish ET. Nickel(ii) pincer complexes demonstrate that the remote substituent controls catalytic carbon dioxide reduction. Chemical Communications (Cambridge, England). PMID 29560991 DOI: 10.1039/C7CC09507D  1
2017 Siek S, Burks DB, Gerlach DL, Liang G, Tesh JM, Thompson CR, Qu F, Shankwitz JE, Vasquez RM, Chambers N, Szulczewski GJ, Grotjahn DB, Webster CE, Papish ET. Iridium and Ruthenium Complexes of-Heterocyclic Carbene- and Pyridinol-Derived Chelates as Catalysts for Aqueous Carbon Dioxide Hydrogenation and Formic Acid Dehydrogenation: The Role of the Alkali Metal. Organometallics. 36: 1091-1106. PMID 29540958 DOI: 10.1021/acs.organomet.6b00806  1
2017 Saint-Louis CJ, Shavnore RN, McClinton CDC, Wilson JA, Magill LL, Brown BM, Lamb RW, Webster CE, Schrock AK, Huggins MT. Synthesis, computational, and spectroscopic analysis of tunable highly fluorescent BN-1,2-azaborine derivatives containing the N-BOH moiety. Organic & Biomolecular Chemistry. PMID 29170787 DOI: 10.1039/c7ob02415k  1
2017 Liang G, Webster CE. Phosphoramidate hydrolysis catalyzed by human histidine triad nucleotide binding protein 1 (hHint1): a cluster-model DFT computational study. Organic & Biomolecular Chemistry. PMID 28984882 DOI: 10.1039/c7ob02098h  1
2017 Liang G, DeYonker NJ, Zhao X, Webster CE. Prediction of the reduction potential in transition-metal containing complexes: How expensive? For what accuracy? Journal of Computational Chemistry. PMID 28800152 DOI: 10.1002/jcc.24894  1
2017 Cope JD, Liyanage NP, Kelley PJ, Denny JA, Valente EJ, Webster CE, Delcamp JH, Hollis TK. Electrocatalytic reduction of CO2 with CCC-NHC pincer nickel complexes. Chemical Communications (Cambridge, England). PMID 28792548 DOI: 10.1039/c6cc06537f  1
2016 Letterman RG, DeYonker NJ, Burkey TJ, Webster CE. Calibrating Reaction Enthalpies: Use of Density Functional Theory and the Correlation Consistent Composite Approach in the Design of Photochromic Materials. The Journal of Physical Chemistry. A. PMID 27936738 DOI: 10.1021/acs.jpca.6b09278  1
2016 Saint-Louis CJ, Magill LL, Wilson JA, Schroeder AR, Harrell SE, Jackson NS, Trindell JA, Kim S, Fisch AR, Munro L, Catalano VJ, Webster CE, Vaughan PP, Molek KS, Schrock AK, et al. The Synthesis and Characterization of Highly Fluorescent Polycyclic Azaborine Chromophores. The Journal of Organic Chemistry. PMID 27704820 DOI: 10.1021/acs.joc.6b01998  1
2016 Reilly SW, Webster CE, Hollis TK, Valle HU. Transmetallation from CCC-NHC pincer Zr complexes in the synthesis of air-stable CCC-NHC pincer Co(iii) complexes and initial hydroboration trials. Dalton Transactions (Cambridge, England : 2003). PMID 26814468 DOI: 10.1039/c5dt04752h  1
2016 Clark WD, Leigh KN, Webster CE, Hollis TK. Experimental and Computational Studies of the Mechanisms of Hydroamination/Cyclisation of Unactivated α,ω-Amino-alkenes with CCC-NHC Pincer Zr Complexes Australian Journal of Chemistry. 69: 573-582. DOI: 10.1071/CH15779  1
2016 Reilly SW, Akurathi G, Box HK, Valle HU, Hollis TK, Webster CE. β-Boration of α,β-unsaturated carbonyl compounds in ethanol and methanol catalyzed by CCC-NHC pincer Rh complexes Journal of Organometallic Chemistry. 802: 32-38. DOI: 10.1016/j.jorganchem.2015.11.010  1
2015 Tyson GE, Tokmic K, Oian CS, Rabinovich D, Valle HU, Hollis TK, Kelly JT, Cuellar KA, McNamara LE, Hammer NI, Webster CE, Oliver AG, Zhang M. Synthesis, characterization, photophysical properties, and catalytic activity of an SCS bis(N-heterocyclic thione) (SCS-NHT) Pd pincer complex. Dalton Transactions (Cambridge, England : 2003). PMID 26205732 DOI: 10.1039/c4dt03324h  1
2015 DeYonker NJ, Webster CE. A Theoretical Study of Phosphoryl Transfers of Tyrosyl-DNA Phosphodiesterase i (Tdp1) and the Possibility of a "dead-End" Phosphohistidine Intermediate Biochemistry. 54: 4236-4247. PMID 26121557 DOI: 10.1021/acs.biochem.5b00396  1
2015 DeYonker NJ, Webster CE. The trans-cis isomerization of Ni(η2-TEMPO)2: Interconnections and conformational complexity Inorganica Chimica Acta. 436: 220-229. DOI: 10.1016/j.ica.2015.07.030  1
2014 Vennampalli M, Liang G, Katta L, Webster CE, Zhao X. Electronic effects on a mononuclear Co complex with a pentadentate ligand for catalytic H₂ evolution. Inorganic Chemistry. 53: 10094-100. PMID 25247491 DOI: 10.1021/ic500840e  1
2014 Leigh KN, Webster CE. Theoretical studies of cyclic adenosine monophosphate dependent protein kinase: Native enzyme and ground-state and transition-state analogues Dalton Transactions. 43: 3039-3043. PMID 24202867 DOI: 10.1039/c3dt52358f  1
2014 Letterman RG, Duke CB, To TT, Burkey TJ, Webster CE. Degenerate pathways for metallacycle ring inversions: A common phenomenon consistent with the principle of microscopic reversibility Organometallics. 33: 5928-5931. DOI: 10.1021/om5007165  1
2014 Gladysz JA, Bedford RB, Fujita M, Gabbaï FP, Goldberg KI, Holland PL, Kiplinger JL, Krische MJ, Louie J, Lu CC, Norton JR, Petrukhina MA, Ren T, Stahl SS, Tilley TD, ... Webster CE, et al. Organometallics roundtable 2013-2014 Organometallics. 33: 1505-1527. DOI: 10.1021/om500253z  1
2014 Helgert TR, Hollis TK, Oliver AG, Valle HU, Wu Y, Webster CE. Synthesis, characterization, and X-ray molecular structure of tantalum CCC-N-heterocyclic carbene (CCC-NHC) pincer complexes with imidazole- and triazole-based ligands Organometallics. 33: 952-958. DOI: 10.1021/om401063e  1
2014 Duke CB, Letterman RG, Johnson JO, Barr JW, Hu S, Ross CR, Webster CE, Burkey TJ. Photochemistry of chromium arene tricarbonyl complexes with tethered pyridinyl and propenyl groups: Investigations of the effect of ring size on chelate formation, structure, and linkage isomerization Organometallics. 33: 485-497. DOI: 10.1021/om400928k  1
2014 Vennampalli M, Liang G, Webster CE, Zhao X. Water Oxidation by Mononuclear Ruthenium Complex with a Pentadentate Isoquinoline-Bipyridyl Ligand European Journal of Inorganic Chemistry. 715-721. DOI: 10.1002/ejic.201301393  1
2013 Isrow D, DeYonker NJ, Koppaka A, Pellechia PJ, Webster CE, Captain B. Metal-ligand synergistic effects in the complex Ni(η(2)-TEMPO)2: synthesis, structures, and reactivity. Inorganic Chemistry. 52: 13882-93. PMID 24262003 DOI: 10.1021/ic401296f  1
2013 Johnson M, Thuman J, Letterman RG, Stromberg CJ, Webster CE, Heilweil EJ. Time-resolved infrared studies of a trimethylphosphine model derivative of [FeFe]-hydrogenase. The Journal of Physical Chemistry. B. 117: 15792-803. PMID 24083980 DOI: 10.1021/jp4067873  1
2013 DeYonker NJ, Webster CE. Phosphoryl transfers of the phospholipase D superfamily: a quantum mechanical theoretical study. Journal of the American Chemical Society. 135: 13764-74. PMID 24007383 DOI: 10.1021/ja4042753  1
2013 Huckaba AJ, Cao B, Hollis TK, Valle HU, Kelly JT, Hammer NI, Oliver AG, Webster CE. Platinum CCC-NHC benzimidazolyl pincer complexes: synthesis, characterization, photostability, and theoretical investigation of a blue-green emitter. Dalton Transactions (Cambridge, England : 2003). 42: 8820-6. PMID 23640268 DOI: 10.1039/c3dt50438g  1
2012 Bingaman JL, Kohnhorst CL, Van Meter GA, McElroy BA, Rakowski EA, Caplins BW, Gutowski TA, Stromberg CJ, Webster CE, Heilweil EJ. Time-resolved vibrational spectroscopy of [FeFe]-hydrogenase model compounds. The Journal of Physical Chemistry. A. 116: 7261-71. PMID 22612846 DOI: 10.1021/jp2121774  1
2012 Singh WM, Baine T, Kudo S, Tian S, Ma XA, Zhou H, DeYonker NJ, Pham TC, Bollinger JC, Baker DL, Yan B, Webster CE, Zhao X. Electrocatalytic and photocatalytic hydrogen production in aqueous solution by a molecular cobalt complex. Angewandte Chemie (International Ed. in English). 51: 5941-4. PMID 22539227 DOI: 10.1002/anie.201200082  1
2012 Griffin JL, Bowler MW, Baxter NJ, Leigh KN, Dannatt HR, Hounslow AM, Blackburn GM, Webster CE, Cliff MJ, Waltho JP. Near attack conformers dominate β-phosphoglucomutase complexes where geometry and charge distribution reflect those of substrate. Proceedings of the National Academy of Sciences of the United States of America. 109: 6910-5. PMID 22505741 DOI: 10.1073/pnas.1116855109  1
2012 Smeltz JL, Webster CE, Ison EA. Computational investigation of the mechanism for the activation of CO by oxorhenium complexes Organometallics. 31: 4055-4062. DOI: 10.1021/om3003366  1
2012 Zhang X, Wright AM, Deyonker NJ, Hollis TK, Hammer NI, Webster CE, Valente EJ. Synthesis, air stability, photobleaching, and DFT modeling of blue light emitting platinum CCC-N-heterocyclic carbene pincer complexes Organometallics. 31: 1664-1672. DOI: 10.1021/om200687w  1
2011 Radaram B, Ivie JA, Singh WM, Grudzien RM, Reibenspies JH, Webster CE, Zhao X. Water oxidation by mononuclear ruthenium complexes with TPA-based ligands. Inorganic Chemistry. 50: 10564-71. PMID 21999861 DOI: 10.1021/ic200050g  1
2011 Gittermann SM, Letterman RG, Jiao T, Leu GL, DeYonker NJ, Webster CE, Burkey TJ. Bond energies, reaction volumes, and kinetics for σ- and π-complexes of MoCO5L. The Journal of Physical Chemistry. A. 115: 9004-13. PMID 21780751 DOI: 10.1021/jp203915q  1
2011 Heilweil EJ, Johnson JO, Mosley KL, Lubet PP, Webster CE, Burkey TJ. Engineering femtosecond organometallic chemistry: Photochemistry and dynamics of ultrafast chelation of cyclopentadienylmanganese tricarbonyl derivatives with pendant benzenecarbonyl and pyridinecarbonyl groups Organometallics. 30: 5611-5619. DOI: 10.1021/om2003656  1
2011 Swennenhuis BHG, Poland R, DeYonker NJ, Webster CE, Darensbourg DJ, Bengali AA. Ligand displacement from TpMn(CO)2L complexes: A large rate enhancement in comparison to the CpMn(CO)2L analogues Organometallics. 30: 3054-3063. DOI: 10.1021/om200161g  1
2010 Sawyer KR, Cahoon JF, Shanoski JE, Glascoe EA, Kling MF, Schlegel JP, Zoerb MC, Hapke M, Hartwig JF, Webster CE, Harris CB. Time-resolved IR studies on the mechanism for the functionalization of primary C-H bonds by photoactivated Cp*W(CO)3(Bpin). Journal of the American Chemical Society. 132: 1848-59. PMID 20099849 DOI: 10.1021/ja906438a  1
2009 To TT, Heilweil EJ, Duke CB, Ruddick KR, Webster CE, Burkey TJ. Development of ultrafast photochromic organometallics and photoinduced linkage isomerization of arene chromium carbonyl derivatives. The Journal of Physical Chemistry. A. 113: 2666-76. PMID 19231828 DOI: 10.1021/jp8068909  1
2008 To TT, Duke CB, Junker CS, O'Brien CM, Ross CR, Barnes CE, Webster CE, Burkey TJ. Linkage isomerization as a mechanism for photochromic materials: Cyclopentadienylmanganese tricarbonyl derivatives with chelatable functional groups Organometallics. 27: 289-296. DOI: 10.1021/om701101h  1
2008 Blake AJ, George MW, Hall MB, McMaster J, Portius P, Sun XZ, Towrie M, Webster CE, Wilson C, Zarić SD. Probing the mechanism of carbon-hydrogen bond activation by photochemically generated hydridotris(pyrazolyl)borato carbonyl rhodium complexes: New experimental and theoretical investigations Organometallics. 27: 189-201. DOI: 10.1021/om7008217  1
2008 Adams RD, Boswell EM, Captain B, Miao S, Beddie C, Webster CE, Hall MB, Dalal NS, Kaur N, Zipse D. Disulfido iron-manganese carbonyl cluster complexes: Synthesis, structure, bonding and properties of the radical CpFeMn2(CO)7(μ3-S2)2 Journal of Organometallic Chemistry. 693: 2732-2738. DOI: 10.1016/j.jorganchem.2008.05.029  1
2008 Pérez LM, Webster CE, Low AA, Hall MB. Theoretical study of the biologically important dioxo diiron diamond core structures Theoretical Chemistry Accounts. 120: 467-478. DOI: 10.1007/s00214-008-0438-3  1
2007 Vastine BA, Webster CE, Hall MB. Carbon-Hydrogen Bond Activation in Hydridotris(pyrazolyl)borate Platinum(IV) Complexes:  Comparison of Density Functionals, Basis Sets, and Bonding Patterns. Journal of Chemical Theory and Computation. 3: 2268-81. PMID 26636218 DOI: 10.1021/ct700120d  1
2007 Webster CE. Computational insights into degenerate ethylene exchange with a Grubbs-type catalyst. Journal of the American Chemical Society. 129: 7490-1. PMID 17521191 DOI: 10.1021/ja071588d  0.01
2005 Webster CE, Gross CL, Young DM, Girolami GS, Schultz AJ, Hall MB, Eckert J. Electronic and steric effects on molecular dihydrogen activation in [CpOsH4(L)]+ (L = PPh3, AsPh3, and PCy3). Journal of the American Chemical Society. 127: 15091-101. PMID 16248648 DOI: 10.1021/ja052336k  1
2005 Beddie C, Webster CE, Hall MB. Urea decomposition facilitated by a urease model complex: a theoretical investigation. Dalton Transactions (Cambridge, England : 2003). 3542-51. PMID 16234936 DOI: 10.1039/b505210f  1
2005 Hartwig JF, Cook KS, Hapke M, Incarvito CD, Fan Y, Webster CE, Hall MB. Rhodium boryl complexes in the catalytic, terminal functionalization of alkanes. Journal of the American Chemical Society. 127: 2538-52. PMID 15725009 DOI: 10.1021/ja045090c  1
2005 Adams RD, Captain B, Hall MB, Smith JL, Webster CE. High nuclearity iridium-platinum clusters: synthesis, structures, bonding, and reactivity. Journal of the American Chemical Society. 127: 1007-14. PMID 15656639 DOI: 10.1021/ja0443777  1
2004 Adams RD, Captain B, Smith JL, Hall MB, Beddie CL, Webster CE. Superloading of tin ligands into rhodium and iridium carbonyl cluster complexes. Inorganic Chemistry. 43: 7576-8. PMID 15554617 DOI: 10.1021/ic0489589  1
2004 Cook KS, Incarvito CD, Webster CE, Fan Y, Hall MB, Hartwig JF. Rhodium silyl boryl hydride complexes: comparison of bonding and the rates of elimination of borane, silane, and dihydrogen. Angewandte Chemie (International Ed. in English). 43: 5474-7. PMID 15484256 DOI: 10.1002/anie.200460430  1
2004 Zampella G, Kravitz JY, Webster CE, Fantucci P, Hall MB, Carlson HA, Pecoraro VL, De Luca L. Quantum mechanical models of the resting state of the vanadium-dependent haloperoxidase. Inorganic Chemistry. 43: 4127-36. PMID 15236524 DOI: 10.1021/ic0353256  1
2004 Wang H, Webster CE, Pérez LM, Hall MB, Gabbaï FP. Reaction of the 1,8-bis(diphenylmethylium)naphthalenediyl dication with fluoride: formation of a cation containing a C-F-->C bridge. Journal of the American Chemical Society. 126: 8189-96. PMID 15225060 DOI: 10.1021/ja048501y  1
2004 Adams RD, Captain B, Fu W, Hall MB, Smith MD, Webster CE. Dinuclear ruthenium and iron complexes containing palladium and platinum with tri-tert-butylphosphine ligands: synthesis, structures, and bonding. Inorganic Chemistry. 43: 3921-9. PMID 15206873 DOI: 10.1021/ic049675j  1
2004 Webster CE. High-energy intermediate or stable transition state analogue: theoretical perspective of the active site and mechanism of beta-phosphoglucomutase. Journal of the American Chemical Society. 126: 6840-1. PMID 15174833 DOI: 10.1021/ja049232e  0.01
2004 Adams RD, Captain B, Fu W, Hall MB, Manson J, Smith MD, Webster CE. Bimetallic cluster complexes: the synthesis, structures, and bonding of ruthenium carbonyl cluster complexes containing palladium and platinum with the bulky tri-tert-butyl-phosphine ligand. Journal of the American Chemical Society. 126: 5253-67. PMID 15099110 DOI: 10.1021/ja039541p  1
2004 Adams RD, Miao S, Smith MD, Farach H, Webster CE, Manson J, Hall MB. Nickel-manganese sulfido carbonyl cluster complexes. synthesis, structure, and properties of the unusual paramagnetic complexes Cp2Ni2Mn(CO)3(mu 3-E)2, E = S, Se. Inorganic Chemistry. 43: 2515-25. PMID 15074969 DOI: 10.1021/ic0354419  1
2004 Webster CE, Darensbourg MY, Lindahl PA, Hall MB. Structures and Energetics of Models for the Active Site of Acetyl-Coenzyme A Synthase: Role of Distal and Proximal Metals in Catalysis Journal of the American Chemical Society. 126: 3410-3411. PMID 15025453 DOI: 10.1021/ja038083h  1
2003 Webster CE, Fan Y, Hall MB, Kunz D, Hartwig JF. Experimental and computational evidence for a boron-assisted, sigma-bond metathesis pathway for alkane borylation. Journal of the American Chemical Society. 125: 858-9. PMID 12537470 DOI: 10.1021/ja028394c  1
2003 Peterson KA, Li Y, Francisco JS, Zou P, Webster CE, Pérez LM, Hall MB, North SW. The role of triplet states in the long wavelength absorption region of bromine nitrate Journal of Chemical Physics. 119: 7864-7870. DOI: 10.1063/1.1604374  1
2002 Eckert J, Webster CE, Hall MB, Albinati A, Venanzi LM. The vibrational spectrum of Tp3,5-MeRhH2(H2): A computational and inelastic neutron scattering study Inorganica Chimica Acta. 330: 240-249. DOI: 10.1016/S0020-1693(01)00827-1  1
2001 Webster CE, Singleton DA, Szymanski MJ, Hall MB, Zhao C, Jia G, Lin Z. Minimum energy structure of hydridotris(pyrazolyl)borato iridium(V) tetrahydride is not a C(3upsilon) capped octahedron. Journal of the American Chemical Society. 123: 9822-9. PMID 11583544 DOI: 10.1021/ja001233t  1
2001 Webster CE, Hall MB. The theoretical transition state structure of a model complex bears a striking resemblance to the active site structure of DMSO reductase. Journal of the American Chemical Society. 123: 5820-1. PMID 11403624  1
1999 Bowers CR, Storhaug V, Webster CE, Bharatam J, Cottone A, Gianna R, Betsey K, Gaffney BJ. Exploring surfaces and cavities in lipoxygenase and other proteins by hyperpolarized xenon-129 NMR. Journal of the American Chemical Society. 121: 9370-7. PMID 16429610 DOI: 10.1021/ja991443+  0.88
1999 Webster CE, Cottone A, Drago RS. Multiple equilibrium analysis description of adsorption on Na-mordenite and H-mordenite Journal of the American Chemical Society. 121: 12127-12139. DOI: 10.1021/ja984122r  1
1999 Webster CE, Drago RS, Zerner MC. A method for characterizing effective pore sizes of catalysts Journal of Physical Chemistry B. 103: 1242-1249.  1
1999 Joerg S, Webster CE, Drago RS, Sales J. Extension of the electrostatic-covalent model to 2:1 adducts Polyhedron. 18: 1097-1106.  1
1999 Webster CE, Drago RS. The multiple equilibrium analysis quantitative prediction of single and multi-component adsorption isotherms on carbonaceous and zeolitic solids Microporous and Mesoporous Materials. 33: 291-306.  1
1998 Webster CE, Drago RS, Zerner MC. Molecular dimensions for adsorptives Journal of the American Chemical Society. 120: 5509-5516. DOI: 10.1021/ja973906m  1
Show low-probability matches.