Loading...

Bell, Alexis

TitleChemical Sr Faculty Engineer
InstitutionLawrence Berkeley National Lab
DepartmentChemical Sciences
Address1 Cyclotron Road
Berkeley CA 94720
Phone510/642-1536
vCardDownload vCard

    Collapse Bibliographic 
    Collapse Publications
    Publications listed below are automatically derived from MEDLINE/PubMed and other sources, which might result in incorrect or missing publications. Researchers can login to make corrections and additions, or contact us for help.
    List All   |   Timeline
    1. Clark EL, Bell A. Direct Observation of the Local Reaction Environment during the Electrochemical Reduction of CO2. J Am Chem Soc. 2018 May 24. PMID: 29756446.
      View in: PubMed
    2. Garza AJ, Bell A, Head-Gordon M. Nonempirical Meta-Generalized Gradient Approximations for Modeling Chemisorption at Metal Surfaces. J Chem Theory Comput. 2018 May 10. PMID: 29746113.
      View in: PubMed
    3. Garza AJ, Bell A, Head-Gordon M. Is Subsurface Oxygen Necessary for the Electrochemical Reduction of CO2 on Copper? J Phys Chem Lett. 2018 Feb 01; 9(3):601-606. PMID: 29341623.
      View in: PubMed
    4. Van der Mynsbrugge J, Janda A, Lin LC, Van Speybroeck V, Head-Gordon M, Bell A. Understanding Brønsted-Acid Catalyzed Monomolecular Reactions of Alkanes in Zeolite Pores by Combining Insights from Experiment and Theory. Chemphyschem. 2018 Feb 19; 19(4):341-358. PMID: 29239509.
      View in: PubMed
    5. Clark EL, Hahn C, Jaramillo TF, Bell A. Electrochemical CO2 Reduction over Compressively Strained CuAg Surface Alloys with Enhanced Multi-Carbon Oxygenate Selectivity. J Am Chem Soc. 2017 Nov 08; 139(44):15848-15857. PMID: 28988474.
      View in: PubMed
    6. Schöttle C, Clark EL, Harker A, Solovyov A, Bell A, Katz A. Nanoporous gold assemblies of calixarene-phosphine-capped colloids. Chem Commun (Camb). 2017 Oct 03; 53(79):10870-10873. PMID: 28875996.
      View in: PubMed
    7. Singh MR, Goodpaster JD, Weber AZ, Head-Gordon M, Bell A. Mechanistic insights into electrochemical reduction of CO2 over Ag using density functional theory and transport models. Proc Natl Acad Sci U S A. 2017 Oct 17; 114(42):E8812-E8821. PMID: 28973926.
      View in: PubMed
    8. Shylesh S, Gokhale AA, Ho CR, Bell A. Novel Strategies for the Production of Fuels, Lubricants, and Chemicals from Biomass. Acc Chem Res. 2017 Oct 17; 50(10):2589-2597. PMID: 28930430.
      View in: PubMed
    9. Resasco J, Chen LD, Clark E, Tsai C, Hahn C, Jaramillo TF, Chan K, Bell A. Promoter Effects of Alkali Metal Cations on the Electrochemical Reduction of Carbon Dioxide. J Am Chem Soc. 2017 Aug 16; 139(32):11277-11287. PMID: 28738673.
      View in: PubMed
    10. Jadhav D, Grippo AM, Shylesh S, Gokhale AA, Redshaw J, Bell A. Production of Biomass-Based Automotive Lubricants by Reductive Etherification. ChemSusChem. 2017 06 09; 10(11):2527-2533. PMID: 28406578.
      View in: PubMed
    11. Dombrowski JP, Johnson GR, Bell A, Tilley TD. Correction: Ga[OSi(OtBu)3]3·THF, a thermolytic molecular precursor for high surface area gallium-containing silica materials of controlled dispersion and stoichiometry. Dalton Trans. 2016 Nov 22; 45(46):18750-18751. PMID: 27834429.
      View in: PubMed
    12. Lobaccaro P, Singh MR, Clark EL, Kwon Y, Bell A, Ager JW. Effects of temperature and gas-liquid mass transfer on the operation of small electrochemical cells for the quantitative evaluation of CO2 reduction electrocatalysts. Phys Chem Chem Phys. 2016 Sep 29; 18(38):26777-26785. PMID: 27722320.
      View in: PubMed
    13. Singh MR, Kwon Y, Lum Y, Ager JW, Bell A. Hydrolysis of Electrolyte Cations Enhances the Electrochemical Reduction of CO2 over Ag and Cu. J Am Chem Soc. 2016 10 05; 138(39):13006-13012. PMID: 27626299.
      View in: PubMed
    14. Dombrowski JP, Johnson GR, Bell A, Tilley TD. Ga[OSi(O(t)Bu)3]3·THF, a thermolytic molecular precursor for high surface area gallium-containing silica materials of controlled dispersion and stoichiometry. Dalton Trans. 2016 Jul 05; 45(27):11025-34. PMID: 27312519.
      View in: PubMed
    15. Li YP, Bell A, Head-Gordon M. Thermodynamics of Anharmonic Systems: Uncoupled Mode Approximations for Molecules. J Chem Theory Comput. 2016 Jun 14; 12(6):2861-70. PMID: 27182658.
      View in: PubMed
    16. Shylesh S, Gokhale AA, Scown CD, Kim D, Ho CR, Bell A. From Sugars to Wheels: The Conversion of Ethanol to 1,3-Butadiene over Metal-Promoted Magnesia-Silicate Catalysts. ChemSusChem. 2016 06 22; 9(12):1462-72. PMID: 27198471.
      View in: PubMed
    17. Hauser AW, Horn PR, Head-Gordon M, Bell A. A systematic study on Pt based, subnanometer-sized alloy cluster catalysts for alkane dehydrogenation: effects of intermetallic interaction. Phys Chem Chem Phys. 2016 Apr 28; 18(16):10906-17. PMID: 27041143.
      View in: PubMed
    18. Goodpaster JD, Bell A, Head-Gordon M. Identification of Possible Pathways for C-C Bond Formation during Electrochemical Reduction of CO2: New Theoretical Insights from an Improved Electrochemical Model. J Phys Chem Lett. 2016 Apr 21; 7(8):1471-7. PMID: 27045040.
      View in: PubMed
    19. Janda A, Vlaisavljevich B, Lin LC, Smit B, Bell A. Effects of Zeolite Structural Confinement on Adsorption Thermodynamics and Reaction Kinetics for Monomolecular Cracking and Dehydrogenation of n-Butane. J Am Chem Soc. 2016 Apr 13; 138(14):4739-56. PMID: 26909765.
      View in: PubMed
    20. Filez M, Redekop EA, Galvita VV, Poelman H, Meledina M, Turner S, Van Tendeloo G, Bell A, Marin GB. The role of hydrogen during Pt-Ga nanocatalyst formation. Phys Chem Chem Phys. 2016 Jan 28; 18(4):3234-43. PMID: 26742561.
      View in: PubMed
    21. Padmanabhan S, Schwyter P, Liu Z, Poon G, Bell A, Prausnitz JM. Delignification of miscanthus using ethylenediamine (EDA) with or without ammonia and subsequent enzymatic hydrolysis to sugars. 3 Biotech. 2016 Jun; 6(1):23. PMID: 28330098.
      View in: PubMed
    22. Shylesh S, Kim D, Ho CR, Johnson GR, Wu J, Bell A. Non-Oxidative Dehydrogenation Pathways for the Conversion of C2 -C4 Alcohols to Carbonyl Compounds. ChemSusChem. 2015 Nov 24. PMID: 26596515.
      View in: PubMed
    23. Singh MR, Clark EL, Bell A. Thermodynamic and achievable efficiencies for solar-driven electrochemical reduction of carbon dioxide to transportation fuels. Proc Natl Acad Sci U S A. 2015 Nov 10; 112(45):E6111-8. PMID: 26504215; PMCID: PMC4653150.
    24. Shylesh S, Kim D, Ho CR, Johnson GR, Wu J, Bell A. Non-Oxidative Dehydrogenation Pathways for the Conversion of C2 -C4 Alcohols to Carbonyl Compounds. ChemSusChem. 2015 Dec 07; 8(23):3959-62. PMID: 26493770.
      View in: PubMed
    25. Clark EL, Singh MR, Kwon Y, Bell A. Differential Electrochemical Mass Spectrometer Cell Design for Online Quantification of Products Produced during Electrochemical Reduction of CO2. Anal Chem. 2015 Aug 04; 87(15):8013-20. PMID: 26153829.
      View in: PubMed
    26. Chen L, Yang J, Klaus S, Lee LJ, Woods-Robinson R, Ma J, Lum Y, Cooper JK, Toma FM, Wang LW, Sharp ID, Bell A, Ager JW. p-Type Transparent Conducting Oxide/n-Type Semiconductor Heterojunctions for Efficient and Stable Solar Water Oxidation. J Am Chem Soc. 2015 Aug 05; 137(30):9595-603. PMID: 26161845.
      View in: PubMed
    27. Sreekumar S, Balakrishnan M, Goulas K, Gunbas G, Gokhale AA, Louie L, Grippo A, Scown CD, Bell A, Toste FD. Upgrading Lignocellulosic Products to Drop-In Biofuels via Dehydrogenative Cross-Coupling and Hydrodeoxygenation Sequence. ChemSusChem. 2015 Aug 24; 8(16):2609-14. PMID: 26216783.
      View in: PubMed
    28. Singh MR, Clark EL, Bell A. Effects of electrolyte, catalyst, and membrane composition and operating conditions on the performance of solar-driven electrochemical reduction of carbon dioxide. Phys Chem Chem Phys. 2015 Jul 15; 17(29):18924-36. PMID: 26103939.
      View in: PubMed
    29. Balakrishnan M, Sacia ER, Sreekumar S, Gunbas G, Gokhale AA, Scown CD, Toste FD, Bell A. Novel pathways for fuels and lubricants from biomass optimized using life-cycle greenhouse gas assessment. Proc Natl Acad Sci U S A. 2015 Jun 23; 112(25):7645-9. PMID: 26056307; PMCID: PMC4485133.
    30. Sacia ER, Balakrishnan M, Deaner MH, Goulas KA, Toste FD, Bell A. Highly selective condensation of biomass-derived methyl ketones as a source of aviation fuel. ChemSusChem. 2015 May 22; 8(10):1726-36. PMID: 25891778.
      View in: PubMed
    31. Sankaranarayanapillai S, Sreekumar S, Gomes J, Grippo A, Arab GE, Head-Gordon M, Toste FD, Bell A. Catalytic upgrading of biomass-derived methyl ketones to liquid transportation fuel precursors by an organocatalytic approach. Angew Chem Int Ed Engl. 2015 Apr 07; 54(15):4673-7. PMID: 25704593.
      View in: PubMed
    32. Friebel D, Louie MW, Bajdich M, Sanwald KE, Cai Y, Wise AM, Cheng MJ, Sokaras D, Weng TC, Alonso-Mori R, Davis RC, Bargar JR, Nørskov JK, Nilsson A, Bell A. Identification of highly active Fe sites in (Ni,Fe)OOH for electrocatalytic water splitting. J Am Chem Soc. 2015 Jan 28; 137(3):1305-13. PMID: 25562406.
      View in: PubMed
    33. Shylesh S, Hanna D, Gomes J, Canlas CG, Head-Gordon M, Bell A. The role of hydroxyl group acidity on the activity of silica-supported secondary amines for the self-condensation of n-butanal. ChemSusChem. 2015 Feb; 8(3):466-72. PMID: 25314616.
      View in: PubMed
    34. Getsoian AB, Zhai Z, Bell A. Band-gap energy as a descriptor of catalytic activity for propene oxidation over mixed metal oxide catalysts. J Am Chem Soc. 2014 Oct 01; 136(39):13684-97. PMID: 25187385.
      View in: PubMed
    35. Balakrishnan M, Sacia ER, Bell A. Selective hydrogenation of furan-containing condensation products as a source of biomass-derived diesel additives. ChemSusChem. 2014 Oct; 7(10):2796-800. PMID: 25169952.
      View in: PubMed
    36. Hauser AW, Mardirossian N, Panetier JA, Head-Gordon M, Bell A, Schwerdtfeger P. Functionalized graphene as a gatekeeper for chiral molecules: an alternative concept for chiral separation. Angew Chem Int Ed Engl. 2014 Sep 08; 53(37):9957-60. PMID: 25044879.
      View in: PubMed
    37. Sharada SM, Bell A, Head-Gordon M. A finite difference Davidson procedure to sidestep full ab initio hessian calculation: application to characterization of stationary points and transition state searches. J Chem Phys. 2014 Apr 28; 140(16):164115. PMID: 24784261.
      View in: PubMed
    38. Balakrishnan M, Sacia ER, Bell A. Syntheses of biodiesel precursors: sulfonic acid catalysts for condensation of biomass-derived platform molecules. ChemSusChem. 2014 Apr; 7(4):1078-85. PMID: 24596031.
      View in: PubMed
    39. Nell A, Getsoian AB, Werner S, Kiwi-Minsker L, Bell A. Preparation and characterization of high-surface-area Bi(1-x)/3V(1-x)Mo(x)O4 catalysts. Langmuir. 2014 Jan 28; 30(3):873-80. PMID: 24400621.
      View in: PubMed
    40. Janda A, Bell A. Effects of Si/Al ratio on the distribution of framework Al and on the rates of alkane monomolecular cracking and dehydrogenation in H-MFI. J Am Chem Soc. 2013 Dec 26; 135(51):19193-207. PMID: 24237304.
      View in: PubMed
    41. Hauser AW, Gomes J, Bajdich M, Head-Gordon M, Bell A. Subnanometer-sized Pt/Sn alloy cluster catalysts for the dehydrogenation of linear alkanes. Phys Chem Chem Phys. 2013 Dec 21; 15(47):20727-34. PMID: 24196250.
      View in: PubMed
    42. Friebel D, Bajdich M, Yeo BS, Louie MW, Miller DJ, Sanchez Casalongue H, Mbuga F, Weng TC, Nordlund D, Sokaras D, Alonso-Mori R, Bell A, Nilsson A. On the chemical state of Co oxide electrocatalysts during alkaline water splitting. Phys Chem Chem Phys. 2013 Oct 28; 15(40):17460-7. PMID: 24026021.
      View in: PubMed
    43. Bajdich M, García-Mota M, Vojvodic A, Nørskov JK, Bell A. Theoretical investigation of the activity of cobalt oxides for the electrochemical oxidation of water. J Am Chem Soc. 2013 Sep 11; 135(36):13521-30. PMID: 23944254.
      View in: PubMed
    44. Louie MW, Bell A. An investigation of thin-film Ni-Fe oxide catalysts for the electrochemical evolution of oxygen. J Am Chem Soc. 2013 Aug 21; 135(33):12329-37. PMID: 23859025.
      View in: PubMed
    45. Rumberger EM, Ahn HS, Bell A, Tilley TD. Water oxidation catalysis via immobilization of the dimanganese complex [Mn2(µ-O)2Cl(µ-O2CCH3)(bpy)2(H2O)](NO3)2 onto silica. Dalton Trans. 2013 Sep 14; 42(34):12238-47. PMID: 23861177.
      View in: PubMed
    46. Gross AS, Bell A, Chu JW. Preferential interactions between lithium chloride and glucan chains in N,N-dimethylacetamide drive cellulose dissolution. J Phys Chem B. 2013 Mar 28; 117(12):3280-6. PMID: 23442105.
      View in: PubMed
    47. Zimmerman PM, Tranca DC, Gomes J, Lambrecht DS, Head-Gordon M, Bell A. Ab initio simulations reveal that reaction dynamics strongly affect product selectivity for the cracking of alkanes over H-MFI. J Am Chem Soc. 2012 Nov 28; 134(47):19468-76. PMID: 23072346.
      View in: PubMed
    48. Liu Z, Padmanabhan S, Cheng K, Schwyter P, Pauly M, Bell A, Prausnitz JM. Aqueous-ammonia delignification of miscanthus followed by enzymatic hydrolysis to sugars. Bioresour Technol. 2013 May; 135:23-9. PMID: 23257277.
      View in: PubMed
    49. Zimmerman PM, Bell F, Goldey M, Bell A, Head-Gordon M. Restricted active space spin-flip configuration interaction: theory and examples for multiple spin flips with odd numbers of electrons. J Chem Phys. 2012 Oct 28; 137(16):164110. PMID: 23126698.
      View in: PubMed
    50. Mallikarjun Sharada S, Zimmerman PM, Bell A, Head-Gordon M. Automated Transition State Searches without Evaluating the Hessian. J Chem Theory Comput. 2012 Dec 11; 8(12):5166-74. PMID: 26593206.
      View in: PubMed
    51. Gross AS, Bell A, Chu JW. Entropy of cellulose dissolution in water and in the ionic liquid 1-butyl-3-methylimidazolim chloride. Phys Chem Chem Phys. 2012 Jun 21; 14(23):8425-30. PMID: 22510706.
      View in: PubMed
    52. Somodi F, Werner S, Peng Z, Getsoian AB, Mlinar AN, Yeo BS, Bell A. Size and composition control of Pt-In nanoparticles prepared by seed-mediated growth using bimetallic seeds. Langmuir. 2012 Feb 21; 28(7):3345-9. PMID: 22300428.
      View in: PubMed
    53. Peng Z, Kisielowski C, Bell A. Surfactant-free preparation of supported cubic platinum nanoparticles. Chem Commun (Camb). 2012 Feb 11; 48(13):1854-6. PMID: 22228084.
      View in: PubMed
    54. Behn A, Zimmerman PM, Bell A, Head-Gordon M. Efficient exploration of reaction paths via a freezing string method. J Chem Phys. 2011 Dec 14; 135(22):224108. PMID: 22168681.
      View in: PubMed
    55. Behn A, Zimmerman PM, Bell A, Head-Gordon M. Incorporating Linear Synchronous Transit Interpolation into the Growing String Method: Algorithm and Applications. J Chem Theory Comput. 2011 Dec 13; 7(12):4019-25. PMID: 26598348.
      View in: PubMed
    56. Gross AS, Bell A, Chu JW. Thermodynamics of cellulose solvation in water and the ionic liquid 1-butyl-3-methylimidazolim chloride. J Phys Chem B. 2011 Nov 24; 115(46):13433-40. PMID: 21950594.
      View in: PubMed
    57. Chou NH, Ross PN, Bell A, Tilley TD. Comparison of cobalt-based nanoparticles as electrocatalysts for water oxidation. ChemSusChem. 2011 Nov 18; 4(11):1566-9. PMID: 21997965.
      View in: PubMed
    58. Dee SJ, Bell A. A study of the acid-catalyzed hydrolysis of cellulose dissolved in ionic liquids and the factors influencing the dehydration of glucose and the formation of humins. ChemSusChem. 2011 Aug 22; 4(8):1166-73. PMID: 21809450.
      View in: PubMed
    59. Lutfalla S, Shapovalov V, Bell A. Calibration of the DFT/GGA+U Method for Determination of Reduction Energies for Transition and Rare Earth Metal Oxides of Ti, V, Mo, and Ce. J Chem Theory Comput. 2011 Jul 12; 7(7):2218-23. PMID: 26606491.
      View in: PubMed
    60. Zimmerman PM, Head-Gordon M, Bell A. Selection and Validation of Charge and Lennard-Jones Parameters for QM/MM Simulations of Hydrocarbon Interactions with Zeolites. J Chem Theory Comput. 2011 Jun 14; 7(6):1695-703. PMID: 26596433.
      View in: PubMed
    61. Yeo BS, Bell A. Enhanced activity of gold-supported cobalt oxide for the electrochemical evolution of oxygen. J Am Chem Soc. 2011 Apr 13; 133(14):5587-93. PMID: 21413705.
      View in: PubMed
    62. Bell A, Head-Gordon M. Quantum mechanical modeling of catalytic processes. Annu Rev Chem Biomol Eng. 2011; 2:453-77. PMID: 22432627.
      View in: PubMed
    63. Hansen N, Kerber T, Sauer J, Bell A, Keil FJ. Quantum chemical modeling of benzene ethylation over H-ZSM-5 approaching chemical accuracy: a hybrid MP2:DFT study. J Am Chem Soc. 2010 Aug 25; 132(33):11525-38. PMID: 20677757.
      View in: PubMed
    64. Yeo BS, Klaus SL, Ross PN, Mathies RA, Bell A. Identification of hydroperoxy species as reaction intermediates in the electrochemical evolution of oxygen on gold. Chemphyschem. 2010 Jun 21; 11(9):1854-7. PMID: 20473978.
      View in: PubMed
    65. Chen T, Chidambaram M, Liu Z, Smit B, Bell A. Viscosities of the mixtures of 1-ethyl-3-methylimidazolium chloride with water, acetonitrile and glucose: a molecular dynamics simulation and experimental study. J Phys Chem B. 2010 May 06; 114(17):5790-4. PMID: 20387843.
      View in: PubMed
    66. Liu Z, Chen T, Bell A, Smit B. Improved united-atom force field for 1-alkyl-3-methylimidazolium chloride. J Phys Chem B. 2010 Apr 08; 114(13):4572-82. PMID: 20235515.
      View in: PubMed
    67. Chen T, Smit B, Bell A. Are pressure fluctuation-based equilibrium methods really worse than nonequilibrium methods for calculating viscosities? J Chem Phys. 2009 Dec 28; 131(24):246101. PMID: 20059120.
      View in: PubMed
    68. Zakzeski J, Burton S, Behn A, Head-Gordon M, Bell A. Spectroscopic investigation of the species involved in the rhodium-catalyzed oxidative carbonylation of toluene to toluic acid. Phys Chem Chem Phys. 2009 Nov 14; 11(42):9903-11. PMID: 19851570.
      View in: PubMed
    69. Zakzeski J, Behn A, Head-Gordon M, Bell A. Effects of ligand composition on the oxidative carbonylation of toluene to toluic acid catalyzed by Rh(III) complexes. J Am Chem Soc. 2009 Aug 12; 131(31):11098-105. PMID: 19606899.
      View in: PubMed
    70. Goodrow A, Bell A, Head-Gordon M. Transition state-finding strategies for use with the growing string method. J Chem Phys. 2009 Jun 28; 130(24):244108. PMID: 19566143.
      View in: PubMed
    71. Dinse A, Schomäcker R, Bell A. The role of lattice oxygen in the oxidative dehydrogenation of ethane on alumina-supported vanadium oxide. Phys Chem Chem Phys. 2009 Aug 07; 11(29):6119-24. PMID: 19606321.
      View in: PubMed
    72. Khaliullin RZ, Bell A, Head-Gordon M. Electron donation in the water-water hydrogen bond. Chemistry. 2009; 15(4):851-5. PMID: 19086050.
      View in: PubMed
    73. Celik FE, Kim TJ, Bell A. Vapor-phase carbonylation of dimethoxymethane over H-Faujasite. Angew Chem Int Ed Engl. 2009; 48(26):4813-5. PMID: 19452505.
      View in: PubMed
    74. McBee JL, Bell A, Tilley TD. Mechanistic studies of the hydroamination of norbornene with electrophilic platinum complexes: the role of proton transfer. J Am Chem Soc. 2008 Dec 10; 130(49):16562-71. PMID: 19554728.
      View in: PubMed
    75. Bell A. Microscopy: Watching catalysts at work. Nature. 2008 Nov 13; 456(7219):185-6. PMID: 19005543.
      View in: PubMed
    76. Goodrow A, Bell A, Head-Gordon M. Development and application of a hybrid method involving interpolation and ab initio calculations for the determination of transition states. J Chem Phys. 2008 Nov 07; 129(17):174109. PMID: 19045335.
      View in: PubMed
    77. Khaliullin RZ, Bell A, Head-Gordon M. Analysis of charge transfer effects in molecular complexes based on absolutely localized molecular orbitals. J Chem Phys. 2008 May 14; 128(18):184112. PMID: 18532804.
      View in: PubMed
    78. Khaliullin RZ, Head-Gordon M, Bell A. Theoretical study of solvent effects on the thermodynamics of iron(III) [tetrakis(pentafluorophenyl)]porphyrin chloride dissociation. J Phys Chem B. 2007 Sep 20; 111(37):10992-8. PMID: 17722913.
      View in: PubMed
    79. Khaliullin RZ, Cobar EA, Lochan RC, Bell A, Head-Gordon M. Unravelling the origin of intermolecular interactions using absolutely localized molecular orbitals. J Phys Chem A. 2007 Sep 13; 111(36):8753-65. PMID: 17655284.
      View in: PubMed
    80. Stephenson NA, Bell A. Mechanistic study of iron(III) [tetrakis(pentafluorophenyl)porphyrin triflate (F(20)TPP)Fe(OTf) catalyzed cyclooctene epoxidation by hydrogen peroxide. Inorg Chem. 2007 Mar 19; 46(6):2278-85. PMID: 17311372.
      View in: PubMed
    81. Heyden A, Hansen N, Bell A, Keil FJ. Nitrous oxide decomposition over Fe-ZSM-5 in the presence of nitric oxide: a comprehensive DFT study. J Phys Chem B. 2006 Aug 31; 110(34):17096-114. PMID: 16928005.
      View in: PubMed
    82. Stephenson NA, Bell A. Effects of methanol on the thermodynamics of iron(III) [tetrakis(pentafluorophenyl)]porphyrin chloride dissociation and the creation of catalytically active species for the epoxidation of cyclooctene. Inorg Chem. 2006 Jul 10; 45(14):5591-9. PMID: 16813423.
      View in: PubMed
    83. Drake IJ, Zhang Y, Gilles MK, Teris Liu CN, Nachimuthu P, Perera RC, Wakita H, Bell A. An in situ Al K-edge XAS investigation of the local environment of H+- and Cu+-exchanged USY and ZSM-5 zeolites. J Phys Chem B. 2006 Jun 22; 110(24):11665-76. PMID: 16800461.
      View in: PubMed
    84. Drake IJ, Zhang Y, Briggs D, Lim B, Chau T, Bell A. The local environment of Cu+ in Cu-Y zeolite and its relationship to the synthesis of dimethyl carbonate. J Phys Chem B. 2006 Jun 22; 110(24):11654-64. PMID: 16800460.
      View in: PubMed
    85. Chempath S, Predescu C, Bell A. Quantum mechanical single molecule partition function from path integral Monte Carlo simulations. J Chem Phys. 2006 Jun 21; 124(23):234101. PMID: 16821901.
      View in: PubMed
    86. Shao Y, Molnar LF, Jung Y, Kussmann J, Ochsenfeld C, Brown ST, Gilbert AT, Slipchenko LV, Levchenko SV, O'Neill DP, DiStasio RA, Lochan RC, Wang T, Beran GJ, Besley NA, Herbert JM, Lin CY, Van Voorhis T, Chien SH, Sodt A, Steele RP, Rassolov VA, Maslen PE, Korambath PP, Adamson RD, Austin B, Baker J, Byrd EF, Dachsel H, Doerksen RJ, Dreuw A, Dunietz BD, Dutoi AD, Furlani TR, Gwaltney SR, Heyden A, Hirata S, Hsu CP, Kedziora G, Khalliulin RZ, Klunzinger P, Lee AM, Lee MS, Liang W, Lotan I, Nair N, Peters B, Proynov EI, Pieniazek PA, Rhee YM, Ritchie J, Rosta E, Sherrill CD, Simmonett AC, Subotnik JE, Woodcock HL, Zhang W, Bell A, Chakraborty AK, Chipman DM, Keil FJ, Warshel A, Hehre WJ, Schaefer HF, Kong J, Krylov AI, Gill PM, Head-Gordon M. Advances in methods and algorithms in a modern quantum chemistry program package. Phys Chem Chem Phys. 2006 Jul 21; 8(27):3172-91. PMID: 16902710.
      View in: PubMed
    87. Khaliullin RZ, Head-Gordon M, Bell A. An efficient self-consistent field method for large systems of weakly interacting components. J Chem Phys. 2006 May 28; 124(20):204105. PMID: 16774317.
      View in: PubMed
    88. Chempath S, Bell A. Density functional theory analysis of the reaction pathway for methane oxidation to acetic acid catalyzed by Pd2+ in sulfuric acid. J Am Chem Soc. 2006 Apr 12; 128(14):4650-7. PMID: 16594702.
      View in: PubMed
    89. Stephenson NA, Bell A. Influence of solvent composition on the kinetics of cyclooctene epoxidation by hydrogen peroxide catalyzed by iron(III) [tetrakis(pentafluorophenyl)] porphyrin chloride [(F20TPP)FeCl]. Inorg Chem. 2006 Mar 20; 45(6):2758-66. PMID: 16529501.
      View in: PubMed
    90. Yang S, Iglesia E, Bell A. Nature, density, and catalytic role of exposed species on dispersed VOx/CrOx/Al2O3 catalysts. J Phys Chem B. 2006 Feb 16; 110(6):2732-9. PMID: 16471878.
      View in: PubMed
    91. Ohler N, Bell A. Study of the elementary processes involved in the selective oxidation of methane over MoOx/SiO2. J Phys Chem B. 2006 Feb 16; 110(6):2700-9. PMID: 16471874.
      View in: PubMed
    92. Ohler N, Bell A. A study of the redox properties of MoOx/SiO2. J Phys Chem B. 2005 Dec 15; 109(49):23419-29. PMID: 16375315.
      View in: PubMed
    93. Heyden A, Bell A, Keil FJ. Efficient methods for finding transition states in chemical reactions: comparison of improved dimer method and partitioned rational function optimization method. J Chem Phys. 2005 Dec 08; 123(22):224101. PMID: 16375464.
      View in: PubMed
    94. Khaliullin RZ, Bell A, Head-Gordon M. A density functional theory study of the mechanism of free radical generation in the system vanadate/PCA/H2O2. J Phys Chem B. 2005 Sep 29; 109(38):17984-92. PMID: 16853308.
      View in: PubMed
    95. Karshtedt D, Bell A, Tilley TD. Platinum-based catalysts for the hydroamination of olefins with sulfonamides and weakly basic anilines. J Am Chem Soc. 2005 Sep 14; 127(36):12640-6. PMID: 16144412.
      View in: PubMed
    96. Brutchey RL, Drake IJ, Bell A, Tilley TD. Liquid-phase oxidation of alkylaromatics by a H-atom transfer mechanism with a new heterogeneous CoSBA-15 catalyst. Chem Commun (Camb). 2005 Aug 07; (29):3736-8. PMID: 16027928.
      View in: PubMed
    97. Stephenson NA, Bell A. A study of the mechanism and kinetics of cyclooctene epoxidation catalyzed by iron(III) tetrakispentafluorophenyl porphyrin. J Am Chem Soc. 2005 Jun 22; 127(24):8635-43. PMID: 15954768.
      View in: PubMed
    98. Yang S, Iglesia E, Bell A. Oxidative dehydrogenation of propane over V2O5/MoO3/Al2O3 and V2O5/Cr2O3/Al2O3: structural characterization and catalytic function. J Phys Chem B. 2005 May 12; 109(18):8987-9000. PMID: 16852071.
      View in: PubMed
    99. Stephenson NA, Bell A. Quantitative analysis of hydrogen peroxide by 1H NMR spectroscopy. Anal Bioanal Chem. 2005 Mar; 381(6):1289-93. PMID: 15756600.
      View in: PubMed
    100. Argyle MD, Chen K, Iglesia E, Bell A. In situ UV-visible spectroscopic measurements of kinetic parameters and active sites for catalytic oxidation of alkanes on vanadium oxides. J Phys Chem B. 2005 Feb 17; 109(6):2414-20. PMID: 16851236.
      View in: PubMed
    101. Heyden A, Peters B, Bell A, Keil FJ. Comprehensive DFT study of nitrous oxide decomposition over Fe-ZSM-5. J Phys Chem B. 2005 Feb 10; 109(5):1857-73. PMID: 16851168.
      View in: PubMed
    102. Peters B, Bell A, Chakraborty A. Rate constants from the reaction path Hamiltonian. I. Reactive flux simulations for dynamically correct rates. J Chem Phys. 2004 Sep 08; 121(10):4453-60. PMID: 15332874.
      View in: PubMed
    103. Peters B, Bell A, Chakraborty A. Rate constants from the reaction path Hamiltonian. II. Nonseparable semiclassical transition state theory. J Chem Phys. 2004 Sep 08; 121(10):4461-6. PMID: 15332875.
      View in: PubMed
    104. Fujdala KL, Drake IJ, Bell A, Tilley TD. Atomic level control over surface species via a molecular precursor approach: isolated Cu(I) sites and Cu nanoparticles supported on mesoporous silica. J Am Chem Soc. 2004 Sep 08; 126(35):10864-6. PMID: 15339170.
      View in: PubMed
    105. Zerella M, Mukhopadhyay S, Bell A. Direct oxidation of methane to acetic acid catalyzed by Pd2+ and Cu2+ in the presence of molecular oxygen. Chem Commun (Camb). 2004 Sep 07; (17):1948-9. PMID: 15340615.
      View in: PubMed
    106. Peters B, Heyden A, Bell A, Chakraborty A. A growing string method for determining transition states: comparison to the nudged elastic band and string methods. J Chem Phys. 2004 May 01; 120(17):7877-86. PMID: 15267702.
      View in: PubMed
    107. Mukhopadhyay S, Zerella M, Bell A, Srinivas RV, Smith GS. Synthesis of methanesulfonyl chloride (MSC) from methane and sulfuryl chloride. Chem Commun (Camb). 2004 Feb 21; (4):472-3. PMID: 14765264.
      View in: PubMed
    108. Zerella M, Mukhopadhyay S, Bell A. Synthesis of mixed acid anhydrides from methane and carbon dioxide in acid solvents. Org Lett. 2003 Sep 04; 5(18):3193-6. PMID: 12943385.
      View in: PubMed
    109. Argyle MD, Chen K, Resini C, Krebs C, Bell A, Iglesia E. In situ UV-visible assessment of extent of reduction during oxidation reactions on oxide catalysts. Chem Commun (Camb). 2003 Aug 21; (16):2082-3. PMID: 12934922.
      View in: PubMed
    110. Mukhopadhyay S, Bell A. A high-yield approach to the sulfonation of methane to methanesulfonic acid initiated by H2O2 and a metal chloride. Angew Chem Int Ed Engl. 2003 Jul 07; 42(26):2990-3. PMID: 12851950.
      View in: PubMed
    111. Mukhopadhyay S, Bell A. Direct sulfonation of methane to methanesulfonic acid with SO2 using Ca salts as promoters. J Am Chem Soc. 2003 Apr 16; 125(15):4406-7. PMID: 12683795.
      View in: PubMed
    112. Bell A. The impact of nanoscience on heterogeneous catalysis. Science. 2003 Mar 14; 299(5613):1688-91. PMID: 12637733.
      View in: PubMed
    113. Mukhopadhyay S, Bell A. Direct liquid-phase sulfonation of methane to methanesulfonic acid by SO3 in the presence of a metal peroxide. Angew Chem Int Ed Engl. 2003 Mar 03; 42(9):1019-21. PMID: 12616554.
      View in: PubMed
    114. Nozaki C, Lugmair CG, Bell A, Tilley TD. Synthesis, characterization, and catalytic performance of single-site iron(III) centers on the surface of SBA-15 silica. J Am Chem Soc. 2002 Nov 06; 124(44):13194-203. PMID: 12405848.
      View in: PubMed
    Alexis's Networks
    Concepts
    Derived automatically from this person's publications.
    _
    Co-Authors
    People in Profiles who have published with this person.
    _
    Related Authors
    People who share related concepts with this person.
    _

    This site is running Profiles RNS version v2.10.1-576-g789c7b32 on PROFILES-PWEB02.