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    Bell, Alexis

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

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      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.
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      1. Bell A, Jadhav D, Grippo AA, Shyles S, Gokhale AA, Redshaw J. Production of Biomass-Based Automotive Lubricants via Reductive Etherification. ChemSusChem. 2017 Apr 12. PMID: 28406578.
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      2. Dombrowski JP, Johnson GR, Bell A, Tilley TD. Correction: 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 Nov 11. PMID: 27834429.
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      3. 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.
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      4. 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 Oct 5; 138(39):13006-13012. PMID: 27626299.
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      5. 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 5; 45(27):11025-34. PMID: 27312519.
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      6. 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.
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      7. 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 Jun 22; 9(12):1462-72. PMID: 27198471.
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      8. 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 20; 18(16):10906-17. PMID: 27041143.
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      9. 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.
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      10. 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.
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      11. 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 20; 18(4):3234-43. PMID: 26742561.
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      12. 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.
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      13. 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.
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      14. 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.
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      15. 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; 8(23):3959-62. PMID: 26493770.
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      16. 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 4; 87(15):8013-20. PMID: 26153829.
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      17. 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; 8(16):2609-14. PMID: 26216783.
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      18. 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 5; 137(30):9595-603. PMID: 26161845.
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      19. 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.
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      20. 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.
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      21. 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.
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      22. 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 7; 54(15):4673-7. PMID: 25704593.
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      23. 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.
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      24. 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.
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      25. 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 1; 136(39):13684-97. PMID: 25187385.
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      26. 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.
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      27. 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 8; 53(37):9957-60. PMID: 25044879.
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      28. 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.
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      29. 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.
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      30. Nell A, Getsoian AB, Werner S, Kiwi-Minsker L, Bell A. Preparation and Characterization of High-Surface-Area Bi(1-x)/3V1-xMoxO4 Catalysts. Langmuir. 2014 Jan 28; 30(3):873-80. PMID: 24400621.
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      31. 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.
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      32. 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.
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      33. 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.
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      34. 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.
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      35. 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.
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      36. 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.
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      37. 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.
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      38. 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.
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      39. 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.
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      40. 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.
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      41. 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.
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      42. 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.
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      43. 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.
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      44. 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.
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      45. 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.
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      46. 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.
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      47. 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.
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      48. 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.
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      49. 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.
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      50. 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.
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      51. 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.
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      52. 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.
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      53. Bell A, Head-Gordon M. Quantum mechanical modeling of catalytic processes. Annu Rev Chem Biomol Eng. 2011; 2:453-77. PMID: 22432627.
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      54. 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.
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      55. 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.
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      56. 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 6; 114(17):5790-4. PMID: 20387843.
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      57. 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 8; 114(13):4572-82. PMID: 20235515.
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      58. 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.
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      59. 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.
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      60. 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.
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      61. 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.
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      62. 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 7; 11(29):6119-24. PMID: 19606321.
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      63. Khaliullin RZ, Bell A, Head-Gordon M. Electron donation in the water-water hydrogen bond. Chemistry. 2009; 15(4):851-5. PMID: 19086050.
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      64. 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.
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      65. 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.
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      66. Bell A. Microscopy: Watching catalysts at work. Nature. 2008 Nov 13; 456(7219):185-6. PMID: 19005543.
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      67. 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 7; 129(17):174109. PMID: 19045335.
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      68. 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.
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      69. 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.
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      70. 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.
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      71. 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.
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      72. 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.
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      73. 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.
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      74. 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.
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      75. 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.
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      76. 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.
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      77. 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.
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      78. 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.
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      79. 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.
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      80. 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.
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      81. 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.
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      82. 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.
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      83. 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.
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      84. 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 8; 123(22):224101. PMID: 16375464.
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      85. 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.
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      86. 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.
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      87. 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 7; (29):3736-8. PMID: 16027928.
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      88. 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.
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      89. 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.
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      90. Stephenson NA, Bell A. Quantitative analysis of hydrogen peroxide by 1H NMR spectroscopy. Anal Bioanal Chem. 2005 Mar; 381(6):1289-93. PMID: 15756600.
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      91. 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.
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      92. 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.
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      93. 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 8; 121(10):4453-60. PMID: 15332874.
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      94. Peters B, Bell A, Chakraborty A. Rate constants from the reaction path Hamiltonian. II. Nonseparable semiclassical transition state theory. J Chem Phys. 2004 Sep 8; 121(10):4461-6. PMID: 15332875.
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      95. 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 8; 126(35):10864-6. PMID: 15339170.
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      96. 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 7; (17):1948-9. PMID: 15340615.
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      97. 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 1; 120(17):7877-86. PMID: 15267702.
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      98. 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.
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      99. Zerella M, Mukhopadhyay S, Bell A. Synthesis of mixed acid anhydrides from methane and carbon dioxide in acid solvents. Org Lett. 2003 Sep 4; 5(18):3193-6. PMID: 12943385.
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      100. 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.
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      101. 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 7; 42(26):2990-3. PMID: 12851950.
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      102. 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.
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      103. Bell A. The impact of nanoscience on heterogeneous catalysis. Science. 2003 Mar 14; 299(5613):1688-91. PMID: 12637733.
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      104. 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 3; 42(9):1019-21. PMID: 12616554.
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      105. 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 6; 124(44):13194-203. PMID: 12405848.
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      106. Armstrong PA, Bell A, Reimer JA. The effect of electric field gradient asymmetry on motionally averaged spin-1 powder patterns. Solid State Nucl Magn Reson. 1993 Apr; 2(1-2):1-10. PMID: 7812738.
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