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Alexis T. Bell - Publications

Affiliations: 
Chemical and Biomolecular Engineering University of California, Berkeley, Berkeley, CA, United States 
Area:
Understanding the fundamental relationships between the structure and composition of heterogeneous catalysts and their performance
Website:
http://cheme.berkeley.edu/faculty/bell/
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Year Citation  Score
2023 King AJ, Weber AZ, Bell AT. Theory and Simulation of Metal-Insulator-Semiconductor (MIS) Photoelectrodes. Acs Applied Materials & Interfaces. 15: 23024-23039. PMID 37154402 DOI: 10.1021/acsami.2c21114  0.486
2022 Aljama HA, Head-Gordon M, Bell AT. Assessing the stability of Pd-exchanged sites in zeolites with the aid of a high throughput quantum chemistry workflow. Nature Communications. 13: 2910. PMID 35614062 DOI: 10.1038/s41467-022-29505-z  0.389
2022 Bui JC, Lees EW, Pant LM, Zenyuk IV, Bell AT, Weber AZ. Continuum Modeling of Porous Electrodes for Electrochemical Synthesis. Chemical Reviews. PMID 35507321 DOI: 10.1021/acs.chemrev.1c00901  0.451
2022 Bui JC, Kim C, King AJ, Romiluyi O, Kusoglu A, Weber AZ, Bell AT. Engineering Catalyst-Electrolyte Microenvironments to Optimize the Activity and Selectivity for the Electrochemical Reduction of CO on Cu and Ag. Accounts of Chemical Research. PMID 35104114 DOI: 10.1021/acs.accounts.1c00650  0.51
2021 Li WL, Lininger CN, Chen K, Vaissier Welborn V, Rossomme E, Bell AT, Head-Gordon M, Head-Gordon T. Critical Role of Thermal Fluctuations for CO Binding on Electrocatalytic Metal Surfaces. Jacs Au. 1: 1708-1718. PMID 34723274 DOI: 10.1021/jacsau.1c00300  0.383
2021 Epifanovsky E, Gilbert ATB, Feng X, Lee J, Mao Y, Mardirossian N, Pokhilko P, White AF, Coons MP, Dempwolff AL, Gan Z, Hait D, Horn PR, Jacobson LD, Kaliman I, ... ... Bell AT, et al. Software for the frontiers of quantum chemistry: An overview of developments in the Q-Chem 5 package. The Journal of Chemical Physics. 155: 084801. PMID 34470363 DOI: 10.1063/5.0055522  0.76
2021 Bui JC, Digdaya I, Xiang C, Bell AT, Weber AZ. Correction to "Understanding Multi-Ion Transport Mechanisms in Bipolar Membranes". Acs Applied Materials & Interfaces. PMID 33983011 DOI: 10.1021/acsami.1c07630  0.416
2021 Lininger CN, Gauthier JA, Li WL, Rossomme E, Welborn VV, Lin Z, Head-Gordon T, Head-Gordon M, Bell AT. Challenges for density functional theory: calculation of CO adsorption on electrocatalytically relevant metals. Physical Chemistry Chemical Physics : Pccp. 23: 9394-9406. PMID 33885049 DOI: 10.1039/d0cp03821k  0.787
2021 Van der Mynsbrugge J, Head-Gordon M, Bell AT. Computational Modeling Predicts the Stability of Both Pd and Pd Ion-Exchanged into H-CHA. Journal of Materials Chemistry. A. 9: 2161-2174. PMID 33686355 DOI: 10.1039/d0ta11254b  0.364
2020 Bui JC, Digdaya I, Xiang C, Bell AT, Weber AZ. Understanding Multi-Ion Transport Mechanisms in Bipolar Membranes. Acs Applied Materials & Interfaces. PMID 33169965 DOI: 10.1021/acsami.0c12686  0.463
2020 Gimferrer M, Van der Mynsbrugge J, Bell AT, Salvador P, Head-Gordon M. Facing the Challenges of Borderline Oxidation State Assignments Using State-of-the-Art Computational Methods. Inorganic Chemistry. PMID 33030893 DOI: 10.1021/acs.inorgchem.0c02405  0.377
2020 Dombrowski JP, Ziegler MS, Phadke NM, Mansoor E, Levine DS, Witzke RJ, Head-Gordon M, Bell AT, Tilley TD. Siloxyaluminate and Siloxygallate Complexes as Models for Framework and Partially-Hydrolyzed Framework Sites in Zeolites and Zeotypes. Chemistry (Weinheim An Der Bergstrasse, Germany). PMID 32926472 DOI: 10.1002/Chem.202002926  0.592
2020 Qi L, Zhang Y, Conrad MA, Russell CK, Miller J, Bell AT. Ethanol Conversion to Butadiene over Isolated Zinc and Yttrium Sites Grafted onto Dealuminated Beta Zeolite. Journal of the American Chemical Society. PMID 32787241 DOI: 10.1021/Jacs.0C06906  0.304
2020 De Riccardis A, Lee M, Kazantsev RV, Garza AJ, Zeng G, Larson DM, Clark EL, Lobaccaro P, Burroughs PWW, Bloise E, Ager JW, Bell AT, Head-Gordon M, Mele G, Toma FM. Heterogenized Pyridine-Substituted Cobalt(II) Phthalocyanine Yields Reduction of CO by Tuning the Electron Affinity of the Co Center. Acs Applied Materials & Interfaces. PMID 31971360 DOI: 10.1021/Acsami.9B18924  0.501
2020 Fornaciari JC, Gerhardt MR, Zhou J, Regmi YN, Danilovic N, Bell AT, Weber AZ. The Role of Water in Vapor-fed Proton-Exchange-Membrane Electrolysis Journal of the Electrochemical Society. 167: 104508. DOI: 10.1149/1945-7111/Ab9B09  0.489
2020 Boonpai S, Wannakao S, Suriye K, Márquez V, Panpranot J, Jongsomjit B, Praserthdam P, Bell AT. Influence of surface Sn species and hydrogen interactions on the OH group formation over spherical silica-supported tin oxide catalysts Reaction Chemistry and Engineering. 5: 1814-1823. DOI: 10.1039/D0Re00178C  0.383
2020 Weng L, Bell AT, Weber AZ. A systematic analysis of Cu-based membrane-electrode assemblies for CO2 reduction through multiphysics simulation Energy and Environmental Science. DOI: 10.1039/D0Ee01604G  0.548
2020 Fornaciari JC, Primc D, Kawashima K, Wygant BR, Verma S, Spanu L, Mullins CB, Bell AT, Weber AZ. A Perspective on the Electrochemical Oxidation of Methane to Methanol in Membrane Electrode Assemblies Acs Energy Letters. 5: 2954-2963. DOI: 10.1021/Acsenergylett.0C01508  0.537
2020 Shylesh S, Bettinson LA, Aljahri A, Head-Gordon M, Bell AT. Experimental and Computational Studies of Carbon–Carbon Bond Formation via Ketonization and Aldol Condensation over Site-Isolated Zirconium Catalysts Acs Catalysis. 10: 4566-4579. DOI: 10.1021/Acscatal.9B05176  0.52
2019 Rossomme E, Lininger CN, Bell AT, Head-Gordon T, Head-Gordon M. Electronic structure calculations permit identification of the driving forces behind frequency shifts in transition metal monocarbonyls. Physical Chemistry Chemical Physics : Pccp. PMID 31833489 DOI: 10.1039/C9Cp04643G  0.458
2019 Rorrer JE, Bell AT, Toste FD. Synthesis of Biomass-Derived Ethers for Use as Fuels and Lubricants. Chemsuschem. PMID 31232521 DOI: 10.1002/Cssc.201900535  0.336
2019 Clark EL, Wong J, Garza AJ, Lin Z, Head-Gordon M, Bell AT. Explaining the Incorporation of Oxygen Derived from Solvent Water into the Oxygenated Products of CO Reduction over Cu. Journal of the American Chemical Society. PMID 30798595 DOI: 10.1021/Jacs.8B13201  0.601
2019 Ringe S, Clark EL, Resasco J, Walton A, Seger B, Bell AT, Chan K. Understanding cation effects in electrochemical CO2 reduction Energy and Environmental Science. 12: 3001-3014. DOI: 10.1039/C9Ee01341E  0.305
2019 Weng L, Bell AT, Weber AZ. Towards membrane-electrode assembly systems for CO2 reduction: a modeling study Energy & Environmental Science. 12: 1950-1968. DOI: 10.1039/C9Ee00909D  0.498
2019 Ho CR, Bettinson LA, Choi J, Head-Gordon M, Bell AT. Zeolite-Catalyzed Isobutene Amination: Mechanism and Kinetics Acs Catalysis. 9: 7012-7022. DOI: 10.1021/Acscatal.9B01799  0.503
2019 Clark EL, Ringe S, Tang M, Walton A, Hahn C, Jaramillo TF, Chan K, Bell AT. Influence of Atomic Surface Structure on the Activity of Ag for the Electrochemical Reduction of CO2 to CO Acs Catalysis. 9: 4006-4014. DOI: 10.1021/Acscatal.9B00260  0.523
2019 Ho CR, Defalque V, Zheng S, Bell AT. Propanol Amination over Supported Nickel Catalysts: Reaction Mechanism and Role of the Support Acs Catalysis. 9: 2931-2939. DOI: 10.1021/Acscatal.8B04612  0.377
2018 Phadke N, Mansoor E, Bondil M, Head-Gordon M, Bell AT. Mechanism and kinetics of propane dehydrogenation and cracking over Ga/H-MFI prepared via vapor-phase exchange of H-MFI with GaCl3. Journal of the American Chemical Society. PMID 30586991 DOI: 10.1021/Jacs.8B11443  0.457
2018 Garza AJ, Pakhira S, Bell AT, Mendoza-Cortes JL, Head-Gordon M. Reaction mechanism of the selective reduction of CO to CO by a tetraaza [CoNH] complex in the presence of protons. Physical Chemistry Chemical Physics : Pccp. PMID 30204173 DOI: 10.1039/C8Cp01963K  0.519
2018 Weng LC, Bell AT, Weber AZ. Modeling gas-diffusion electrodes for CO reduction. Physical Chemistry Chemical Physics : Pccp. PMID 29900441 DOI: 10.1039/C8Cp01319E  0.537
2018 Clark EL, Bell AT. Direct Observation of the Local Reaction Environment during the Electrochemical Reduction of CO2. Journal of the American Chemical Society. PMID 29756446 DOI: 10.1021/Jacs.8B04058  0.346
2018 Garza AJ, Bell AT, Head-Gordon M. Nonempirical Meta-Generalized Gradient Approximations for Modeling Chemisorption at Metal Surfaces. Journal of Chemical Theory and Computation. PMID 29746113 DOI: 10.1021/Acs.Jctc.8B00288  0.47
2018 Garza A, Bell AT, Head-Gordon M. Is Subsurface Oxygen Necessary for the Electrochemical Reduction of CO2 on Copper? The Journal of Physical Chemistry Letters. PMID 29341623 DOI: 10.1021/Acs.Jpclett.7B03180  0.463
2018 Wang A, Balsara NP, Bell AT. Continuous pervaporation-assisted furfural production catalyzed by CrCl3 Green Chemistry. 20: 2903-2912. DOI: 10.1039/C8Gc00842F  0.323
2018 Gauthier JA, Ringe S, Dickens CF, Garza AJ, Bell AT, Head-Gordon M, Nørskov JK, Chan K. Challenges in Modeling Electrochemical Reaction Energetics with Polarizable Continuum Models Acs Catalysis. 9: 920-931. DOI: 10.1021/Acscatal.8B02793  0.778
2018 Clark EL, Resasco J, Landers A, Lin J, Chung L, Walton A, Hahn C, Jaramillo TF, Bell AT. Standards and Protocols for Data Acquisition and Reporting for Studies of the Electrochemical Reduction of Carbon Dioxide Acs Catalysis. 8: 6560-6570. DOI: 10.1021/Acscatal.8B01340  0.53
2018 Phadke NM, Van der Mynsbrugge J, Mansoor E, Getsoian AB, Head-Gordon M, Bell AT. Characterization of Isolated Ga3+Cations in Ga/H-MFI Prepared by Vapor-Phase Exchange of H-MFI Zeolite with GaCl3 Acs Catalysis. 8: 6106-6126. DOI: 10.1021/Acscatal.8B01254  0.478
2018 Mansoor E, Head-Gordon M, Bell AT. Computational Modeling of the Nature and Role of Ga Species for Light Alkane Dehydrogenation Catalyzed by Ga/H-MFI Acs Catalysis. 8: 6146-6162. DOI: 10.1021/Acscatal.7B04295  0.473
2018 Garza AJ, Bell AT, Head-Gordon M. Mechanism of CO2 Reduction at Copper Surfaces: Pathways to C2 Products Acs Catalysis. 8: 1490-1499. DOI: 10.1021/Acscatal.7B03477  0.316
2018 Ho CR, Zheng S, Shylesh S, Bell AT. The mechanism and kinetics of methyl isobutyl ketone synthesis from acetone over ion-exchanged hydroxyapatite Journal of Catalysis. 365: 174-183. DOI: 10.1016/J.Jcat.2018.07.005  0.418
2018 Mansoor E, Van der Mynsbrugge J, Head-Gordon M, Bell AT. Impact of long-range electrostatic and dispersive interactions on theoretical predictions of adsorption and catalysis in zeolites Catalysis Today. 312: 51-65. DOI: 10.1016/J.Cattod.2018.02.007  0.477
2018 Van der Mynsbrugge J, Janda A, Lin L, Van Speybroeck V, Head-Gordon M, Bell AT. Front Cover: Understanding Brønsted-Acid Catalyzed Monomolecular Reactions of Alkanes in Zeolite Pores by Combining Insights from Experiment and Theory (ChemPhysChem 4/2018) Chemphyschem. 19: 335-335. DOI: 10.1002/Cphc.201800110  0.448
2017 Van der Mynsbrugge J, Janda A, Lin LC, Van Speybroeck V, Head-Gordon M, Bell AT. Understanding Brønsted-Acid Catalyzed Monomolecular Reactions of Alkanes in Zeolite Pores by Combining Insights from Experiment and Theory. Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry. PMID 29239509 DOI: 10.1002/Cphc.201701084  0.511
2017 Clark EL, Hahn C, Jaramillo TF, Bell AT. Electrochemical CO2 Reduction over Compressively Strained CuAg Surface Alloys with Enhanced Multi-Carbon Oxygenate Selectivity. Journal of the American Chemical Society. PMID 28988474 DOI: 10.1021/Jacs.7B08607  0.55
2017 Singh MR, Goodpaster JD, Weber AZ, Head-Gordon M, Bell AT. Mechanistic insights into electrochemical reduction of CO2 over Ag using density functional theory and transport models. Proceedings of the National Academy of Sciences of the United States of America. PMID 28973926 DOI: 10.1073/Pnas.1713164114  0.793
2017 Resasco J, Chen LD, Clark E, Tsai C, Hahn C, Jaramillo TF, Chan K, Bell AT. Promoter effects of alkali metal cations on the electrochemical reduction of carbon dioxide. Journal of the American Chemical Society. PMID 28738673 DOI: 10.1021/Jacs.7B06765  0.574
2017 Van der Mynsbrugge J, Janda A, Mallikarjun Sharada S, Lin L, Van Speybroeck V, Head-Gordon M, Bell AT. Theoretical Analysis of the Influence of Pore Geometry on Monomolecular Cracking and Dehydrogenation ofn-Butane in Brønsted Acidic Zeolites Acs Catalysis. 7: 2685-2697. DOI: 10.1021/Acscatal.6B03646  0.464
2017 Lum Y, Yue B, Lobaccaro P, Bell AT, Ager JW. Optimizing C–C Coupling on Oxide-Derived Copper Catalysts for Electrochemical CO2 Reduction Journal of Physical Chemistry C. 121: 14191-14203. DOI: 10.1021/Acs.Jpcc.7B03673  0.35
2017 Rorrer J, He Y, Toste FD, Bell AT. Mechanism and kinetics of 1-dodecanol etherification over tungstated zirconia Journal of Catalysis. 354: 13-23. DOI: 10.1016/J.Jcat.2017.08.001  0.317
2017 Louie YL, Tang J, Hell AML, Bell AT. Kinetics of hydrogenation and hydrogenolysis of 2,5-dimethylfuran over noble metals catalysts under mild conditions Applied Catalysis B: Environmental. 202: 557-568. DOI: 10.1016/J.Apcatb.2016.09.046  0.372
2016 Dombrowski JP, Johnson GR, Bell AT, 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 Transactions (Cambridge, England : 2003). PMID 27834429 DOI: 10.1039/C6Dt90202B  0.47
2016 Lobaccaro P, Singh MR, Clark EL, Kwon Y, Bell AT, 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. Physical Chemistry Chemical Physics : Pccp. 18: 26777-26785. PMID 27722320 DOI: 10.1039/C6Cp05287H  0.58
2016 Singh MR, Kwon Y, Lum Y, Ager JW, Bell AT. Hydrolysis of Electrolyte Cations Enhances the Electrochemical Reduction of CO2 over Ag and Cu. Journal of the American Chemical Society. PMID 27626299 DOI: 10.1021/Jacs.6B07612  0.582
2016 Dombrowski JP, Johnson GR, Bell AT, 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 Transactions (Cambridge, England : 2003). PMID 27312519 DOI: 10.1039/c6dt01676f  0.427
2016 Shylesh S, Gokhale AA, Scown CD, Kim D, Ho CR, Bell AT. From Sugars to Wheels: The Conversion of Ethanol to 1,3-Butadiene over Metal-Promoted Magnesia-Silicate Catalysts. Chemsuschem. PMID 27198471 DOI: 10.1002/Cssc.201600195  0.352
2016 Li YP, Bell AT, Head-Gordon M. Thermodynamics of Anharmonic Systems: Uncoupled Mode Approximations for Molecules. Journal of Chemical Theory and Computation. PMID 27182658 DOI: 10.1021/Acs.Jctc.5B01177  0.744
2016 Goodpaster JD, Bell AT, 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. The Journal of Physical Chemistry Letters. PMID 27045040 DOI: 10.1021/Acs.Jpclett.6B00358  0.744
2016 Hauser AW, Horn PR, Head-Gordon M, Bell AT. A systematic study on Pt based, subnanometer-sized alloy cluster catalysts for alkane dehydrogenation: effects of intermetallic interaction. Physical Chemistry Chemical Physics : Pccp. PMID 27041143 DOI: 10.1039/C6Cp00360E  0.502
2016 Filez M, Redekop EA, Galvita VV, Poelman H, Meledina M, Turner S, Van Tendeloo G, Bell AT, Marin GB. The role of hydrogen during Pt-Ga nanocatalyst formation. Physical Chemistry Chemical Physics : Pccp. PMID 26742561 DOI: 10.1039/C5Cp07344H  0.314
2016 Singh MR, Bell AT. Design of an artificial photosynthetic system for production of alcohols in high concentration from CO2 Energy and Environmental Science. 9: 193-199. DOI: 10.1039/C5Ee02783G  0.552
2016 Licht RB, Bell AT. A DFT Investigation of the Mechanism of Propene Ammoxidation over α-Bismuth Molybdate Acs Catalysis. 7: 161-176. DOI: 10.1021/Acscatal.6B02523  0.382
2016 Howell JG, Li Y, Bell AT. Propene Metathesis over Supported Tungsten Oxide Catalysts: A Study of Active Site Formation Acs Catalysis. 6: 7728-7738. DOI: 10.1021/Acscatal.6B01842  0.762
2016 Cheng M, Clark EL, Pham HH, Bell AT, Head-Gordon M. Quantum Mechanical Screening of Single-Atom Bimetallic Alloys for the Selective Reduction of CO2 to C1 Hydrocarbons Acs Catalysis. 6: 7769-7777. DOI: 10.1021/Acscatal.6B01393  0.507
2016 Li Y, Head-Gordon M, Bell AT. Theoretical Study of 4-(Hydroxymethyl)benzoic Acid Synthesis from Ethylene and 5-(Hydroxymethyl)furoic Acid Catalyzed by Sn-BEA Acs Catalysis. 6: 5052-5061. DOI: 10.1021/Acscatal.6B01160  0.74
2016 Lum Y, Kwon Y, Lobaccaro P, Chen L, Clark EL, Bell AT, Ager JW. Trace Levels of Copper in Carbon Materials Show Significant Electrochemical CO2 Reduction Activity Acs Catalysis. 6: 202-209. DOI: 10.1021/Acscatal.5B02399  0.318
2016 Johnson GR, Bell AT. Role of ZrO2 in Promoting the Activity and Selectivity of Co-Based Fischer-Tropsch Synthesis Catalysts Acs Catalysis. 6: 100-114. DOI: 10.1021/Acscatal.5B02205  0.364
2016 Licht RB, Getsoian A“, Bell AT. Identifying the Unique Properties of α-Bi2Mo3O12 for the Activation of Propene The Journal of Physical Chemistry C. 120: 29233-29247. DOI: 10.1021/Acs.Jpcc.6B09949  0.342
2016 Ali-Löytty H, Louie MW, Singh MR, Li L, Sanchez Casalongue HG, Ogasawara H, Crumlin EJ, Liu Z, Bell AT, Nilsson A, Friebel D. Ambient-Pressure XPS Study of a Ni-Fe Electrocatalyst for the Oxygen Evolution Reaction Journal of Physical Chemistry C. 120: 2247-2253. DOI: 10.1021/Acs.Jpcc.5B10931  0.584
2016 Shylesh S, Kim D, Gokhale AA, Canlas CG, Struppe JO, Ho CR, Jadhav D, Yeh A, Bell AT. Effects of Composition and Structure of Mg/Al Oxides on Their Activity and Selectivity for the Condensation of Methyl Ketones Industrial & Engineering Chemistry Research. 55: 10635-10644. DOI: 10.1021/Acs.Iecr.6B03601  0.354
2016 Licht RB, Vogt D, Bell AT. The mechanism and kinetics of propene ammoxidation over α-bismuth molybdate Journal of Catalysis. 339: 228-241. DOI: 10.1016/J.Jcat.2016.04.012  0.349
2016 Johnson GR, Bell AT. Effects of Lewis acidity of metal oxide promoters on the activity and selectivity of Co-based Fischer-Tropsch synthesis catalysts Journal of Catalysis. 338: 250-264. DOI: 10.1016/J.Jcat.2016.03.022  0.366
2016 Wu J, Helveg S, Ullmann S, Peng Z, Bell AT. Growth of encapsulating carbon on supported Pt nanoparticles studied by in situ TEM Journal of Catalysis. 338: 295-304. DOI: 10.1016/J.Jcat.2016.03.010  0.611
2016 Lewerenz HJ, Lichterman MF, Richter MH, Crumlin EJ, Hu S, Axnanda S, Favaro M, Drisdell W, Hussain Z, Brunschwig BS, Liu Z, Nilsson A, Bell AT, Lewis NS, Friebel D. Operando Analyses of Solar Fuels Light Absorbers and Catalysts Electrochimica Acta. 211: 711-719. DOI: 10.1016/J.Electacta.2016.06.006  0.356
2016 Zhai Z, Wütschert M, Licht RB, Bell AT. Effects of catalyst crystal structure on the oxidation of propene to acrolein Catalysis Today. 261: 146-153. DOI: 10.1016/J.Cattod.2015.06.011  0.382
2016 Klaus S, Trotochaud L, Cheng M, Head-Gordon M, Bell AT. Back Cover: Experimental and Computational Evidence of Highly Active Fe Impurity Sites on the Surface of Oxidized Au for the Electrocatalytic Oxidation of Water in Basic Media (ChemElectroChem 1/2016) Chemelectrochem. 3: 173-173. DOI: 10.1002/celc.201500527  0.391
2016 Klaus S, Trotochaud L, Cheng MJ, Head-Gordon M, Bell AT. Experimental and Computational Evidence of Highly Active Fe Impurity Sites on the Surface of Oxidized Au for the Electrocatalytic Oxidation of Water in Basic Media Chemelectrochem. 3: 66-73. DOI: 10.1002/celc.201500364  0.391
2015 Singh MR, Clark EL, Bell AT. Thermodynamic and achievable efficiencies for solar-driven electrochemical reduction of carbon dioxide to transportation fuels. Proceedings of the National Academy of Sciences of the United States of America. PMID 26504215 DOI: 10.1073/Pnas.1519212112  0.588
2015 Clark EL, Singh MR, Kwon Y, Bell AT. Differential Electrochemical Mass Spectrometer Cell Design for Online Quantification of Products Produced during Electrochemical Reduction of CO2. Analytical Chemistry. 87: 8013-20. PMID 26153829 DOI: 10.1021/Acs.Analchem.5B02080  0.566
2015 Singh MR, Clark EL, Bell AT. Effects of electrolyte, catalyst, and membrane composition and operating conditions on the performance of solar-driven electrochemical reduction of carbon dioxide. Physical Chemistry Chemical Physics : Pccp. PMID 26103939 DOI: 10.1039/C5Cp03283K  0.577
2015 Sankaranarayanapillai S, Sreekumar S, Gomes J, Grippo A, Arab GE, Head-Gordon M, Toste FD, Bell AT. Catalytic upgrading of biomass-derived methyl ketones to liquid transportation fuel precursors by an organocatalytic approach. Angewandte Chemie (International Ed. in English). 54: 4673-7. PMID 25704593 DOI: 10.1002/Anie.201412470  0.522
2015 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 AT. Identification of highly active Fe sites in (Ni,Fe)OOH for electrocatalytic water splitting. Journal of the American Chemical Society. 137: 1305-13. PMID 25562406 DOI: 10.1021/Ja511559D  0.474
2015 Shylesh S, Hanna D, Gomes J, Canlas CG, Head-Gordon M, Bell AT. The role of hydroxyl group acidity on the activity of silica-supported secondary amines for the self-condensation of n-butanal. Chemsuschem. 8: 466-72. PMID 25314616 DOI: 10.1002/Cssc.201402443  0.503
2015 Sharada SM, Stück D, Sundstrom EJ, Bell AT, Head-Gordon M. Wavefunction stability analysis without analytical electronic Hessians: application to orbital-optimised second-order Møller–Plesset theory and VV10-containing density functionals Molecular Physics. DOI: 10.1080/00268976.2015.1014442  0.424
2015 Enslow KR, Bell AT. SnCl4-catalyzed isomerization/dehydration of xylose and glucose to furanics in water Catalysis Science and Technology. 5: 2839-2847. DOI: 10.1039/C5Cy00077G  0.328
2015 Sacia ER, Deaner MH, Louie YL, Bell AT. Synthesis of biomass-derived methylcyclopentane as a gasoline additive via aldol condensation/hydrodeoxygenation of 2,5-hexanedione Green Chemistry. 17: 2393-2397. DOI: 10.1039/C4Gc02292K  0.313
2015 Li YP, Gomes J, Sharada SM, Bell AT, Head-Gordon M. Improved force-field parameters for QM/MM simulations of the energies of adsorption for molecules in zeolites and a free rotor correction to the rigid rotor harmonic oscillator model for adsorption enthalpies Journal of Physical Chemistry C. 119: 1840-1850. DOI: 10.1021/Jp509921R  0.746
2015 Yang F, Liu Z, Afzal W, Bell AT, Prausnitz JM. Pretreatment of miscanthus giganteus with lime and oxidants for biofuels Energy and Fuels. 29: 1743-1750. DOI: 10.1021/Ef502517D  0.316
2015 Johnson GR, Werner S, Bell AT. An Investigation into the Effects of Mn Promotion on the Activity and Selectivity of Co/SiO2 for Fischer-Tropsch Synthesis: Evidence for Enhanced CO Adsorption and Dissociation Acs Catalysis. 5: 5888-5903. DOI: 10.1021/Acscatal.5B01578  0.674
2015 Tranca DC, Zimmerman PM, Gomes J, Lambrecht D, Keil FJ, Head-Gordon M, Bell AT. Hexane Cracking on ZSM-5 and Faujasite Zeolites: A QM/MM/QCT Study Journal of Physical Chemistry C. 119: 28836-28853. DOI: 10.1021/Acs.Jpcc.5B07457  0.636
2015 Swierk JR, Klaus S, Trotochaud L, Bell AT, Tilley TD. Electrochemical Study of the Energetics of the Oxygen Evolution Reaction at Nickel Iron (Oxy)Hydroxide Catalysts Journal of Physical Chemistry C. 119: 19022-19029. DOI: 10.1021/Acs.Jpcc.5B05861  0.531
2015 Cheng MJ, Kwon Y, Head-Gordon M, Bell AT. Tailoring Metal-Porphyrin-Like Active Sites on Graphene to Improve the Efficiency and Selectivity of Electrochemical CO2 Reduction Journal of Physical Chemistry C. 119: 21345-21352. DOI: 10.1021/Acs.Jpcc.5B05518  0.486
2015 Klaus S, Louie MW, Trotochaud L, Bell AT. Role of Catalyst Preparation on the Electrocatalytic Activity of Ni1-xFexOOH for the Oxygen Evolution Reaction Journal of Physical Chemistry C. 119: 18303-18316. DOI: 10.1021/Acs.Jpcc.5B04776  0.335
2015 Janda A, Vlaisavljevich B, Lin LC, Mallikarjun Sharada S, Smit B, Head-Gordon M, Bell AT. Adsorption thermodynamics and intrinsic activation parameters for monomolecular cracking of n-alkanes on brønsted acid sites in zeolites Journal of Physical Chemistry C. 119: 10427-10438. DOI: 10.1021/Acs.Jpcc.5B01715  0.479
2015 Klaus S, Cai Y, Louie MW, Trotochaud L, Bell AT. Effects of Fe electrolyte impurities on Ni(OH)2/NiOOH structure and oxygen evolution activity Journal of Physical Chemistry C. 119: 7243-7254. DOI: 10.1021/Acs.Jpcc.5B00105  0.312
2015 Clark EL, Singh MR, Kwon Y, Bell AT. Differential Electrochemical Mass Spectrometer Cell Design for Online Quantification of Products Produced during Electrochemical Reduction of CO2 Analytical Chemistry. 87: 8013-8020. DOI: 10.1021/acs.analchem.5b02080  0.488
2015 Zhai Z, Wang X, Licht R, Bell AT. Selective oxidation and oxidative dehydrogenation of hydrocarbons on bismuth vanadium molybdenum oxide Journal of Catalysis. 325: 87-100. DOI: 10.1016/J.Jcat.2015.02.015  0.387
2015 Johnson GR, Werner S, Bustillo KC, Ercius P, Kisielowski C, Bell AT. Investigations of element spatial correlation in Mn-promoted Co-based Fischer-Tropsch synthesis catalysts Journal of Catalysis. 328: 111-122. DOI: 10.1016/J.Jcat.2014.12.011  0.662
2015 Wu J, Mallikarjun Sharada S, Ho C, Hauser AW, Head-Gordon M, Bell AT. Ethane and propane dehydrogenation over PtIr/Mg(Al)O Applied Catalysis a: General. 506: 25-32. DOI: 10.1016/J.Apcata.2015.08.029  0.513
2015 Enslow KR, Bell AT. The role of metal halides in enhancing the dehydration of xylose to furfural Chemcatchem. 7: 479-489. DOI: 10.1002/Cctc.201402842  0.323
2014 Getsoian AB, Zhai Z, Bell AT. Band-gap energy as a descriptor of catalytic activity for propene oxidation over mixed metal oxide catalysts. Journal of the American Chemical Society. 136: 13684-97. PMID 25187385 DOI: 10.1021/Ja5051555  0.335
2014 Hauser AW, Mardirossian N, Panetier JA, Head-Gordon M, Bell AT, Schwerdtfeger P. Functionalized graphene as a gatekeeper for chiral molecules: an alternative concept for chiral separation. Angewandte Chemie (International Ed. in English). 53: 9957-60. PMID 25044879 DOI: 10.1002/Anie.201403145  0.415
2014 Sharada SM, Bell AT, 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. The Journal of Chemical Physics. 140: 164115. PMID 24784261 DOI: 10.1063/1.4871660  0.432
2014 Balakrishnan M, Sacia ER, Bell AT. Syntheses of biodiesel precursors: sulfonic acid catalysts for condensation of biomass-derived platform molecules. Chemsuschem. 7: 1078-85. PMID 24596031 DOI: 10.1002/Cssc.201300931  0.362
2014 Nell A, Getsoian AB, Werner S, Kiwi-Minsker L, Bell AT. Preparation and characterization of high-surface-area Bi(1-x)/3V(1-x)Mo(x)O4 catalysts. Langmuir : the Acs Journal of Surfaces and Colloids. 30: 873-80. PMID 24400621 DOI: 10.1021/La403646G  0.687
2014 Mallikarjun Sharada S, Bell AT, Head-Gordon M. Erratum: “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. 140, 164115 (2014)] The Journal of Chemical Physics. 140: 229902. DOI: 10.1063/1.4883888  0.416
2014 Haber JA, Cai Y, Jung S, Xiang C, Mitrovic S, Jin J, Bell AT, Gregoire JM. Discovering Ce-rich oxygen evolution catalysts, from high throughput screening to water electrolysis Energy and Environmental Science. 7: 682-688. DOI: 10.1039/C3Ee43683G  0.357
2014 Cheng MJ, Head-Gordon M, Bell AT. How to chemically tailor metal-porphyrin-like active sites on carbon nanotubes and graphene for minimal overpotential in the electrochemical oxygen evolution and oxygen reduction reactions Journal of Physical Chemistry C. 118: 29482-29491. DOI: 10.1021/Jp507638V  0.482
2014 Li YP, Head-Gordon M, Bell AT. Computational study of p -xylene synthesis from ethylene and 2,5-dimethylfuran catalyzed by H-BEA Journal of Physical Chemistry C. 118: 22090-22095. DOI: 10.1021/Jp506664C  0.765
2014 Gomes J, Head-Gordon M, Bell AT. Reaction dynamics of zeolite-catalyzed alkene methylation by methanol Journal of Physical Chemistry C. 118: 21409-21419. DOI: 10.1021/Jp502804Q  0.482
2014 Liu Z, Padmanabhan S, Cheng K, Xie H, Gokhale A, Afzal W, Na H, Pauly M, Bell AT, Prausnitz JM. Two-step delignification of miscanthus to enhance enzymatic hydrolysis: Aqueous ammonia followed by sodium hydroxide and oxidants Energy and Fuels. 28: 542-548. DOI: 10.1021/Ef401317Z  0.356
2014 Hanna DG, Shylesh S, Li YP, Krishna S, Head-Gordon M, Bell AT. Experimental and theoretical study of n -butanal self-condensation over ti species supported on silica Acs Catalysis. 4: 2908-2916. DOI: 10.1021/Cs500704B  0.76
2014 Li YP, Head-Gordon M, Bell AT. Analysis of the reaction mechanism and catalytic activity of metal-substituted beta zeolite for the isomerization of glucose to fructose Acs Catalysis. 4: 1537-1545. DOI: 10.1021/Cs401054F  0.771
2014 Mlinar AN, Shylesh S, Ho OC, Bell AT. Propene oligomerization using Alkali metal- and nickel-exchanged mesoporous aluminosilicate catalysts Acs Catalysis. 4: 337-343. DOI: 10.1021/Cs4007809  0.369
2014 Wu J, Peng Z, Bell AT. Effects of composition and metal particle size on ethane dehydrogenation over PtxSn100-x/Mg(Al)O (70 ≤ x ≤ 100) Journal of Catalysis. 311: 161-168. DOI: 10.1016/J.Jcat.2013.11.017  0.624
2014 Hanna DG, Shylesh S, Parada PA, Bell AT. Hydrogenation of butanal over silica-supported Shvo's catalyst and its use for the gas-phase conversion of propene to butanol via tandem hydroformylation and hydrogenation Journal of Catalysis. 311: 52-58. DOI: 10.1016/J.Jcat.2013.11.012  0.374
2014 Wu J, Peng Z, Sun P, Bell AT. N-Butane dehydrogenation over Pt/Mg(In)(Al)O Applied Catalysis a: General. 470: 208-214. DOI: 10.1016/J.Apcata.2013.10.058  0.658
2014 Yu G, Afzal W, Yang F, Padmanabhan S, Liu Z, Xie H, Shafy MA, Bell AT, Prausnitz JM. Pretreatment of Miscanthus × giganteus using aqueous ammonia with hydrogen peroxide to increase enzymatic hydrolysis to sugars Journal of Chemical Technology and Biotechnology. 89: 698-706. DOI: 10.1002/Jctb.4172  0.3
2014 Shylesh S, Hanna D, Gomes J, Canlas CG, Head-Gordon M, Bell AT. Back Cover: The Role of Hydroxyl Group Acidity on the Activity of Silica-Supported Secondary Amines for the Self-Condensation ofn-Butanal (ChemSusChem 3/2015) Chemsuschem. 8: 568-568. DOI: 10.1002/Cssc.201400100  0.449
2014 Balakrishnan M, Sacia ER, Bell AT. Cover Picture: Syntheses of Biodiesel Precursors: Sulfonic Acid Catalysts for Condensation of Biomass-Derived Platform Molecules (ChemSusChem 4/2014) Chemsuschem. 7: 943-943. DOI: 10.1002/Cssc.201400089  0.329
2014 Werner S, Johnson GR, Bell AT. Synthesis and characterization of supported cobalt-manganese nanoparticles as model catalysts for fischer-tropsch synthesis Chemcatchem. DOI: 10.1002/Cctc.201402260  0.673
2014 Shylesh S, Hanna D, Gomes J, Krishna S, Canlas CG, Head-Gordon M, Bell AT. Tailoring the cooperative acid-base effects in silica-supported amine catalysts: Applications in the continuous gas-phase self-condensation of n-butanal Chemcatchem. 6: 1283-1290. DOI: 10.1002/Cctc.201301087  0.539
2014 Hauser AW, Mardirossian N, Panetier JA, Head-Gordon M, Bell AT, Schwerdtfeger P. Inside Cover: Functionalized Graphene as a Gatekeeper for Chiral Molecules: An Alternative Concept for Chiral Separation (Angew. Chem. Int. Ed. 37/2014) Angewandte Chemie International Edition. 53: 9678-9678. DOI: 10.1002/Anie.201406608  0.405
2014 Hauser AW, Mardirossian N, Panetier JA, Head-Gordon M, Bell AT, Schwerdtfeger P. Innentitelbild: Funktionalisiertes Graphen als Türsteher für chirale Moleküle: ein alternatives Konzept zur Racematspaltung (Angew. Chem. 37/2014) Angewandte Chemie. 126: 9832-9832. DOI: 10.1002/Ange.201406608  0.397
2014 Hauser AW, Mardirossian N, Panetier JA, Head-Gordon M, Bell AT, Schwerdtfeger P. Funktionalisiertes Graphen als Türsteher für chirale Moleküle: ein alternatives Konzept zur Racematspaltung Angewandte Chemie. 126: 10117-10120. DOI: 10.1002/Ange.201403145  0.396
2014 Li YP, Head-Gordon M, Bell AT. Computational study of p-xylene synthesis from ethylene and 2,5-dimethylfuran catalyzed by H-BEA Journal of Physical Chemistry C. 118: 22090-22095.  0.349
2013 Hauser AW, Gomes J, Bajdich M, Head-Gordon M, Bell AT. Subnanometer-sized Pt/Sn alloy cluster catalysts for the dehydrogenation of linear alkanes. Physical Chemistry Chemical Physics : Pccp. 15: 20727-34. PMID 24196250 DOI: 10.1039/C3Cp53796J  0.532
2013 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 AT, Nilsson A. On the chemical state of Co oxide electrocatalysts during alkaline water splitting. Physical Chemistry Chemical Physics : Pccp. 15: 17460-7. PMID 24026021 DOI: 10.1039/C3Cp52981A  0.36
2013 Bajdich M, García-Mota M, Vojvodic A, Nørskov JK, Bell AT. Theoretical investigation of the activity of cobalt oxides for the electrochemical oxidation of water. Journal of the American Chemical Society. 135: 13521-30. PMID 23944254 DOI: 10.1021/Ja405997S  0.499
2013 Rumberger EM, Ahn HS, Bell AT, 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 Transactions (Cambridge, England : 2003). 42: 12238-47. PMID 23861177 DOI: 10.1039/C3Dt51472B  0.722
2013 Liu Z, Padmanabhan S, Cheng K, Schwyter P, Pauly M, Bell AT, Prausnitz JM. Aqueous-ammonia delignification of miscanthus followed by enzymatic hydrolysis to sugars. Bioresource Technology. 135: 23-9. PMID 23257277 DOI: 10.1016/J.Biortech.2012.10.133  0.303
2013 Getsoian AB, Bell AT. The influence of functionals on density functional theory calculations of the properties of reducible transition metal oxide catalysts Journal of Physical Chemistry C. 117: 25562-25578. DOI: 10.1021/Jp409479H  0.31
2013 Mallikarjun Sharada S, Zimmerman PM, Bell AT, Head-Gordon M. Insights into the kinetics of cracking and dehydrogenation reactions of light alkanes in H-MFI Journal of Physical Chemistry C. 117: 12600-12611. DOI: 10.1021/Jp402506M  0.637
2013 Getsoian A, Shapovalov V, Bell AT. DFT+U investigation of propene oxidation over bismuth molybdate: Active sites, reaction intermediates, and the role of bismuth Journal of Physical Chemistry C. 117: 7123-7137. DOI: 10.1021/Jp400440P  0.383
2013 Shylesh S, Hanna D, Mlinar A, K?ng XQ, Reimer JA, Bell AT. In situ formation of Wilkinson-type hydroformylation catalysts: Insights into the structure, stability, and kinetics of triphenylphosphine- and xantphos-modified Rh/SiO2 Acs Catalysis. 3: 348-357. DOI: 10.1021/Cs3007445  0.562
2013 Zhai Z, Getsoian AB, Bell AT. The kinetics of selective oxidation of propene on bismuth vanadium molybdenum oxide catalysts Journal of Catalysis. 308: 25-36. DOI: 10.1016/J.Jcat.2013.05.008  0.354
2012 Mallikarjun Sharada S, Zimmerman PM, Bell AT, Head-Gordon M. Automated Transition State Searches without Evaluating the Hessian. Journal of Chemical Theory and Computation. 8: 5166-74. PMID 26593206 DOI: 10.1021/Ct300659D  0.769
2012 Zimmerman PM, Bell F, Goldey M, Bell AT, Head-Gordon M. Restricted active space spin-flip configuration interaction: theory and examples for multiple spin flips with odd numbers of electrons. The Journal of Chemical Physics. 137: 164110. PMID 23126698 DOI: 10.1063/1.4759076  0.595
2012 Zimmerman PM, Tranca DC, Gomes J, Lambrecht DS, Head-Gordon M, Bell AT. Ab initio simulations reveal that reaction dynamics strongly affect product selectivity for the cracking of alkanes over H-MFI. Journal of the American Chemical Society. 134: 19468-76. PMID 23072346 DOI: 10.1021/Ja3089372  0.639
2012 Somodi F, Werner S, Peng Z, Getsoian AB, Mlinar AN, Yeo BS, Bell AT. Size and composition control of Pt-In nanoparticles prepared by seed-mediated growth using bimetallic seeds. Langmuir : the Acs Journal of Surfaces and Colloids. 28: 3345-9. PMID 22300428 DOI: 10.1021/La204838Q  0.754
2012 Peng Z, Kisielowski C, Bell AT. Surfactant-free preparation of supported cubic platinum nanoparticles. Chemical Communications (Cambridge, England). 48: 1854-6. PMID 22228084 DOI: 10.1039/C2Cc16962B  0.634
2012 Enslow KR, Bell AT. The kinetics of Bronsted acid-catalyzed hydrolysis of hemicellulose dissolved in 1-ethyl-3-methylimidazolium chloride Rsc Advances. 2: 10028-10036. DOI: 10.1039/C2Ra21650G  0.344
2012 Balakrishnan M, Sacia ER, Bell AT. Etherification and reductive etherification of 5-(hydroxymethyl)furfural: 5-(alkoxymethyl)furfurals and 2,5-bis(alkoxymethyl)furans as potential bio-diesel candidates Green Chemistry. 14: 1626-1634. DOI: 10.1039/C2Gc35102A  0.37
2012 García-Mota M, Bajdich M, Viswanathan V, Vojvodic A, Bell AT, Nørskov JK. Importance of correlation in determining electrocatalytic oxygen evolution activity on cobalt oxides Journal of Physical Chemistry C. 116: 21077-21082. DOI: 10.1021/Jp306303Y  0.483
2012 Gomes J, Zimmerman PM, Head-Gordon M, Bell AT. Accurate prediction of hydrocarbon interactions with zeolites utilizing improved exchange-correlation functionals and QM/MM methods: Benchmark calculations of adsorption enthalpies and application to ethene methylation by methanol Journal of Physical Chemistry C. 116: 15406-15414. DOI: 10.1021/Jp303321S  0.629
2012 Shapovalov V, Fievez T, Bell AT. A theoretical study of methanol oxidation catalyzed by isolated vanadia clusters supported on the (101) surface of anatase Journal of Physical Chemistry C. 116: 18728-18735. DOI: 10.1021/Jp302862Q  0.351
2012 Yeo BS, Bell AT. In situ raman study of nickel oxide and gold-supported nickel oxide catalysts for the electrochemical evolution of oxygen Journal of Physical Chemistry C. 116: 8394-8400. DOI: 10.1021/Jp3007415  0.328
2012 Mallikarjun Sharada S, Zimmerman PM, Bell AT, Head-Gordon M. Automated transition state searches without evaluating the hessian Journal of Chemical Theory and Computation. 8: 5166-5174. DOI: 10.1021/ct300659d  0.542
2012 Shylesh S, Hanna D, Werner S, Bell AT. Factors influencing the activity, selectivity, and stability of Rh-based supported ionic liquid phase (SILP) catalysts for hydroformylation of propene Acs Catalysis. 2: 487-493. DOI: 10.1021/Cs2004888  0.676
2012 Behn A, Zakzeski J, Head-Gordon M, Bell AT. Experimental and theoretical investigation of the oxidative carbonylation of toluene to toluic acid catalyzed by palladium(II) in the presence of vanadium and molecular oxygen Journal of Molecular Catalysis a: Chemical. 361: 91-97. DOI: 10.1016/J.Molcata.2012.05.006  0.774
2012 Mlinar AN, Baur GB, Bong GG, Getsoian A, Bell AT. Propene oligomerization over Ni-exchanged Na-X zeolites Journal of Catalysis. 296: 156-164. DOI: 10.1016/J.Jcat.2012.09.010  0.348
2012 Hanna DG, Shylesh S, Werner S, Bell AT. The kinetics of gas-phase propene hydroformylation over a supported ionic liquid-phase (SILP) rhodium catalyst Journal of Catalysis. 292: 166-172. DOI: 10.1016/J.Jcat.2012.05.011  0.684
2012 Dinse A, Aigner M, Ulbrich M, Johnson GR, Bell AT. Effects of Mn promotion on the activity and selectivity of Co/SiO 2 for Fischer-Tropsch Synthesis Journal of Catalysis. 288: 104-114. DOI: 10.1016/J.Jcat.2012.01.008  0.322
2012 Mlinar AN, Zimmerman PM, Celik FE, Head-Gordon M, Bell AT. Effects of Brønsted-acid site proximity on the oligomerization of propene in H-MFI Journal of Catalysis. 288: 65-73. DOI: 10.1016/J.Jcat.2012.01.002  0.792
2012 Peng Z, Somodi F, Helveg S, Kisielowski C, Specht P, Bell AT. High-resolution in situ and ex situ TEM studies on graphene formation and growth on Pt nanoparticles Journal of Catalysis. 286: 22-29. DOI: 10.1016/J.Jcat.2011.10.008  0.594
2012 Vining WC, Strunk J, Bell AT. Investigation of the structure and activity of VO x/CeO 2/SiO 2 catalysts for methanol oxidation to formaldehyde Journal of Catalysis. 285: 160-167. DOI: 10.1016/j.jcat.2011.09.024  0.797
2012 Werner S, Johnson GT, Dinse A, Bell AT. Ex situ Prepared Cobalt-Manganese Nanoparticles as Model Catalysts for Fischer-Tropsch Synthesis Chemie Ingenieur Technik. 84: 1242-1242. DOI: 10.1002/Cite.201250182  0.662
2011 Lutfalla S, Shapovalov V, Bell AT. 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. Journal of Chemical Theory and Computation. 7: 2218-2223. PMID 26606491 DOI: 10.1021/Ct200202G  0.311
2011 Behn A, Zimmerman PM, Bell AT, Head-Gordon M. Incorporating Linear Synchronous Transit Interpolation into the Growing String Method: Algorithm and Applications. Journal of Chemical Theory and Computation. 7: 4019-25. PMID 26598348 DOI: 10.1021/Ct200654U  0.62
2011 Zimmerman PM, Head-Gordon M, Bell AT. Selection and Validation of Charge and Lennard-Jones Parameters for QM/MM Simulations of Hydrocarbon Interactions with Zeolites. Journal of Chemical Theory and Computation. 7: 1695-703. PMID 26596433 DOI: 10.1021/Ct2001655  0.636
2011 Bell AT, Head-Gordon M. Quantum mechanical modeling of catalytic processes. Annual Review of Chemical and Biomolecular Engineering. 2: 453-77. PMID 22432627 DOI: 10.1146/Annurev-Chembioeng-061010-114108  0.453
2011 Behn A, Zimmerman PM, Bell AT, Head-Gordon M. Efficient exploration of reaction paths via a freezing string method. The Journal of Chemical Physics. 135: 224108. PMID 22168681 DOI: 10.1063/1.3664901  0.621
2011 Chou NH, Ross PN, Bell AT, Tilley TD. Comparison of cobalt-based nanoparticles as electrocatalysts for water oxidation. Chemsuschem. 4: 1566-9. PMID 21997965 DOI: 10.1002/Cssc.201100075  0.5
2011 Dee SJ, Bell AT. 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. 4: 1166-73. PMID 21809450 DOI: 10.1002/Cssc.201000426  0.704
2011 Yeo BS, Bell AT. Enhanced activity of gold-supported cobalt oxide for the electrochemical evolution of oxygen. Journal of the American Chemical Society. 133: 5587-93. PMID 21413705 DOI: 10.1021/Ja200559J  0.351
2011 Bell AT. Effects of reaction conditions on the acid-catalyzed hydrolysis of miscanthus dissolved in an ionic liquid Acs National Meeting Book of Abstracts. DOI: 10.1039/C1Gc15317J  0.325
2011 Somodi F, Peng Z, Getsoian AB, Bell AT. Effects of the synthesis parameters on the size and composition of Pt - Sn nanoparticles prepared by the polyalcohol reduction method Journal of Physical Chemistry C. 115: 19084-19090. DOI: 10.1021/Jp206482Y  0.619
2011 Strunk J, Vining WC, Bell AT. Synthesis of different CeO 2 structures on mesoporous silica and characterization of their reduction properties Journal of Physical Chemistry C. 115: 4114-4126. DOI: 10.1021/Jp1105746  0.791
2011 Behn A, Zimmerman PM, Bell AT, Head-Gordon M. Incorporating linear synchronous transit interpolation into the growing string method: Algorithm and applications Journal of Chemical Theory and Computation. 7: 4019-4025. DOI: 10.1021/ct200654u  0.544
2011 Zimmerman PM, Head-Gordon M, Bell AT. Selection and validation of charge and lennard-jones parameters for QM/MM simulations of hydrocarbon interactions with zeolites Journal of Chemical Theory and Computation. 7: 1695-1703. DOI: 10.1021/ct2001655  0.562
2011 Sun P, Siddiqi G, Vining WC, Chi M, Bell AT. Novel Pt/Mg(In)(Al)O catalysts for ethane and propane dehydrogenation Journal of Catalysis. 282: 165-174. DOI: 10.1016/J.Jcat.2011.06.008  0.804
2011 Vining WC, Strunk J, Bell AT. Investigation of the structure and activity of VOx/ZrO 2/SiO2 catalysts for methanol oxidation to formaldehyde Journal of Catalysis. 281: 222-230. DOI: 10.1016/J.Jcat.2011.05.001  0.794
2011 Francisco M, Mlinar AN, Yoo B, Bell AT, Prausnitz JM. Recovery of glucose from an aqueous ionic liquid by adsorption onto a zeolite-based solid Chemical Engineering Journal. 172: 184-190. DOI: 10.1016/J.Cej.2011.05.087  0.711
2011 Kim T, Celik FE, Hanna DG, Shylesh S, Werner S, Bell AT. Gas-phase hydroformylation of propene over silica-supported PPh 3-modified rhodium catalysts Topics in Catalysis. 54: 299-307. DOI: 10.1007/S11244-011-9664-3  0.801
2010 Hansen N, Kerber T, Sauer J, Bell AT, Keil FJ. Quantum chemical modeling of benzene ethylation over H-ZSM-5 approaching chemical accuracy: a hybrid MP2:DFT study. Journal of the American Chemical Society. 132: 11525-38. PMID 20677757 DOI: 10.1021/Ja102261M  0.303
2010 Yeo BS, Klaus SL, Ross PN, Mathies RA, Bell AT. Identification of hydroperoxy species as reaction intermediates in the electrochemical evolution of oxygen on gold. Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry. 11: 1854-7. PMID 20473978 DOI: 10.1002/Cphc.201000294  0.332
2010 Chidambaram M, Bell AT. A two-step approach for the catalytic conversion of glucose to 2,5-dimethylfuran in ionic liquids Green Chemistry. 12: 1253. DOI: 10.1039/C004343E  0.346
2010 Behn A, Head-Gordon M, Bell AT. Weak interligand interactions with major structural consequences in Rh(CO)2(CF3COO)3 Organometallics. 29: 1144-1149. DOI: 10.1021/Om900945Z  0.449
2010 Shapovalov V, Bell AT. Theoretical study of zeolite-catalyzed dimethoxymethane carbonylation to methyl methoxyacetate Journal of Physical Chemistry C. 114: 17753-17760. DOI: 10.1021/Jp106011A  0.371
2010 Strunk J, Vining WC, Bell AT. A study of oxygen vacancy formation and annihilation in submonolayer coverages of TiO2 dispersed on MCM-48 Journal of Physical Chemistry C. 114: 16937-16945. DOI: 10.1021/Jp100104D  0.794
2010 Briggs DN, Bong G, Leong E, Oei K, Lestari G, Bell AT. Effects of support composition and pretreatment on the activity and selectivity of carbon-supported PdCunClx catalysts for the synthesis of diethyl carbonate Journal of Catalysis. 276: 215-228. DOI: 10.1016/J.Jcat.2010.08.004  0.773
2010 Sun P, Siddiqi G, Chi M, Bell AT. Synthesis and characterization of a new catalyst Pt/Mg(Ga)(Al)O for alkane dehydrogenation Journal of Catalysis. 274: 192-199. DOI: 10.1016/J.Jcat.2010.06.017  0.336
2010 Siddiqi G, Sun P, Galvita V, Bell AT. Catalyst performance of novel Pt/Mg(Ga)(Al)O catalysts for alkane dehydrogenation Journal of Catalysis. 274: 200-206. DOI: 10.1016/J.Jcat.2010.06.016  0.377
2010 Celik FE, Kim T, Mlinar AN, Bell AT. An investigation into the mechanism and kinetics of dimethoxymethane carbonylation over FAU and MFI zeolites Journal of Catalysis. 274: 150-162. DOI: 10.1016/J.Jcat.2010.06.015  0.746
2010 Galvita V, Siddiqi G, Sun P, Bell AT. Ethane dehydrogenation on Pt/Mg(Al)O and PtSn/Mg(Al)O catalysts Journal of Catalysis. 271: 209-219. DOI: 10.1016/J.Jcat.2010.01.016  0.336
2010 Celik FE, Kim TJ, Bell AT. Effect of zeolite framework type and Si/Al ratio on dimethoxymethane carbonylation Journal of Catalysis. 270: 185-195. DOI: 10.1016/J.Jcat.2009.12.021  0.724
2010 Vining WC, Goodrow A, Strunk J, Bell AT. An experimental and theoretical investigation of the structure and reactivity of bilayered VOx/TiOx/SiO2 catalysts for methanol oxidation Journal of Catalysis. 270: 163-171. DOI: 10.1016/J.Jcat.2009.12.017  0.807
2010 Goodrow A, Bell AT, Head-Gordon M. A strategy for obtaining a more accurate transition state estimate using the growing string method Chemical Physics Letters. 484: 392-398. DOI: 10.1016/J.Cplett.2009.11.050  0.444
2010 Hansen N, Krishna R, van Baten JM, Bell AT, Keil FJ. Reactor simulation of benzene ethylation and ethane dehydrogenation catalyzed by ZSM-5: A multiscale approach Chemical Engineering Science. 65: 2472-2480. DOI: 10.1016/J.Ces.2009.12.028  0.319
2010 Zakzeski J, Lee HR, Leung YL, Bell AT. One-pot synthesis of alcohols from olefins catalyzed by rhodium and ruthenium complexes Acs National Meeting Book of Abstracts. DOI: 10.1016/J.Apcata.2009.12.011  0.757
2010 KYRLIDIS A, COOK SJ, CHAKRABORTY AK, BELL AT, THEODOROU DN. ChemInform Abstract: Electronic Structure Calculations of Ammonia Adsorption in H-ZSM-5 Zeolites. Cheminform. 26: no-no. DOI: 10.1002/chin.199524009  0.452
2010 MORTLOCK RF, BELL AT, RADKE CJ. ChemInform Abstract: 31P and 27Al NMR Investigations of the Effects of pH on Aqueous Solutions Containing Aluminum and Phosphorus Cheminform. 24: no-no. DOI: 10.1002/chin.199317015  0.409
2010 MORTLOCK RF, BELL AT, RADKE CJ. ChemInform Abstract: 31P and 27Al NMR Investigations of Highly Acidic, Aqueous Solutions Containing Aluminum and Phosphorus Cheminform. 24: no-no. DOI: 10.1002/chin.199316017  0.425
2010 Strunk J, Vining WC, Bell AT. Synthesis of different CeO2 structures on mesoporous silica and characterization of the reduction properties and the catalytic behavior Acs National Meeting Book of Abstracts.  0.78
2009 Zakzeski J, Burton S, Behn A, Head-Gordon M, Bell AT. Spectroscopic investigation of the species involved in the rhodium-catalyzed oxidative carbonylation of toluene to toluic acid. Physical Chemistry Chemical Physics : Pccp. 11: 9903-11. PMID 19851570 DOI: 10.1039/B906883J  0.787
2009 Zakzeski J, Behn A, Head-Gordon M, Bell AT. Effects of ligand composition on the oxidative carbonylation of toluene to toluic acid catalyzed by Rh(III) complexes. Journal of the American Chemical Society. 131: 11098-105. PMID 19606899 DOI: 10.1021/Ja903278N  0.785
2009 Dinse A, Schomäcker R, Bell AT. The role of lattice oxygen in the oxidative dehydrogenation of ethane on alumina-supported vanadium oxide. Physical Chemistry Chemical Physics : Pccp. 11: 6119-24. PMID 19606321 DOI: 10.1039/B821131K  0.366
2009 Goodrow A, Bell AT, Head-Gordon M. Transition state-finding strategies for use with the growing string method. The Journal of Chemical Physics. 130: 244108. PMID 19566143 DOI: 10.1063/1.3156312  0.478
2009 Celik FE, Kim TJ, Bell AT. Vapor-phase carbonylation of dimethoxymethane over H-Faujasite. Angewandte Chemie (International Ed. in English). 48: 4813-5. PMID 19452505 DOI: 10.1002/Anie.200900464  0.713
2009 Khaliullin RZ, Bell AT, Head-Gordon M. Electron donation in the water-water hydrogen bond. Chemistry (Weinheim An Der Bergstrasse, Germany). 15: 851-5. PMID 19086050 DOI: 10.1002/Chem.200802107  0.45
2009 Goodrow A, Bell AT, Head-Gordon M. Are spin-forbidden crossings a bottleneck in methanol oxidation? Journal of Physical Chemistry C. 113: 19361-19364. DOI: 10.1021/Jp906603R  0.461
2009 Esswein AJ, Mcmurdo MJ, Ross PN, Bell AT, Tilley TD. Size-dependent activity of Co3O4 nanoparticle anodes for alkaline water electrolysis Journal of Physical Chemistry C. 113: 15068-15072. DOI: 10.1021/Jp904022E  0.478
2009 Kilos B, Bell AT, Iglesia E. Mechanism and site requirements for ethanol oxidation on vanadium oxide domains Journal of Physical Chemistry C. 113: 2830-2836. DOI: 10.1021/Jp8078056  0.339
2009 Zakzeski J, Bell AT. Oxidative carbonylation of benzotrifluoride to form trifluoromethylbenzoic acid Journal of Molecular Catalysis a: Chemical. 302: 59-67. DOI: 10.1016/J.Molcata.2008.11.034  0.755
2009 Briggs DN, Lawrence KH, Bell AT. An investigation of carbon-supported CuCl2/PdCl2 catalysts for diethyl carbonate synthesis Applied Catalysis a: General. 366: 71-83. DOI: 10.1016/J.Apcata.2009.06.032  0.782
2009 Zakzeski J, Fan IS, Bell AT. Preparation of benzoyl fluoride from benzotrifluoride catalyzed by niobium oxide Applied Catalysis a: General. 360: 33-37. DOI: 10.1016/J.Apcata.2009.02.042  0.753
2009 Celik FE, hyphen T, Kim J, Bell AT. VaporhPhase Carbonylation of Dimethoxymethane over HhFaujasite Angewandte Chemie. 121: 4907-4909. DOI: 10.1002/Ange.200900464  0.716
2008 McBee JL, Bell AT, Tilley TD. Mechanistic studies of the hydroamination of norbornene with electrophilic platinum complexes: the role of proton transfer. Journal of the American Chemical Society. 130: 16562-71. PMID 19554728 DOI: 10.1021/Ja8030104  0.491
2008 Goodrow A, Bell AT, Head-Gordon M. Development and application of a hybrid method involving interpolation and ab initio calculations for the determination of transition states. The Journal of Chemical Physics. 129: 174109. PMID 19045335 DOI: 10.1063/1.2992618  0.468
2008 Bell AT. Microscopy: Watching catalysts at work. Nature. 456: 185-6. PMID 19005543 DOI: 10.1038/456185A  0.334
2008 Khaliullin RZ, Bell AT, Head-Gordon M. Analysis of charge transfer effects in molecular complexes based on absolutely localized molecular orbitals. The Journal of Chemical Physics. 128: 184112. PMID 18532804 DOI: 10.1063/1.2912041  0.426
2008 Hansen N, Krishna R, van Baten JM, Bell AT, Keil FJ. Analysis of Diffusion Limitation in the Alkylation of Benzene over H-ZSM-5 by Combining Quantum Chemical Calculations, Molecular Simulations, and a Continuum Approach The Journal of Physical Chemistry C. 113: 235-246. DOI: 10.1021/Jp8073046  0.306
2008 Hansen N, Brüggemann T, Bell AT, Keil FJ. Theoretical Investigation of Benzene Alkylation with Ethene over H-ZSM-5 The Journal of Physical Chemistry C. 112: 15402-15411. DOI: 10.1021/Jp8036022  0.306
2008 Goodrow A, Bell AT. A theoretical investigation of the selective oxidation of methanol to formaldehyde on isolated vanadate species supported on titania Journal of Physical Chemistry C. 112: 13204-13214. DOI: 10.1021/Jp801339Q  0.388
2008 Zheng X, Bell AT. A Theoretical Investigation of Dimethyl Carbonate Synthesis on Cu−Y Zeolite The Journal of Physical Chemistry C. 112: 5043-5047. DOI: 10.1021/Jp711415G  0.357
2008 Bronkema JL, Bell AT. Mechanistic studies of methanol oxidation to formaldehyde on isolated vanadate sites supported on high surface area zirconia Journal of Physical Chemistry C. 112: 6404-6412. DOI: 10.1021/jp7110692  0.784
2008 Zheng X, Bell AT. Theoretical Analysis of the Mechanism for the Oxidative Carbonylation of Toluene top-Toluic Acid by Rhodium Complexes The Journal of Physical Chemistry C. 112: 2129-2136. DOI: 10.1021/Jp709934U  0.345
2008 Celik FE, Lawrence H, Bell AT. Synthesis of precursors to ethylene glycol from formaldehyde and methyl formate catalyzed by heteropoly acids Journal of Molecular Catalysis a: Chemical. 288: 87-96. DOI: 10.1016/J.Molcata.2008.03.029  0.728
2008 ZHANG Y, BELL A. The mechanism of dimethyl carbonate synthesis on Cu-exchanged zeolite Y Journal of Catalysis. 255: 153-161. DOI: 10.1016/J.Jcat.2008.01.033  0.347
2008 Bronkema JL, Bell AT. An investigation of the reduction and reoxidation of isolated vanadate sites supported on MCM-48 Catalysis Letters. 122: 1-8. DOI: 10.1007/S10562-007-9382-4  0.797
2008 Stephenson NA, Bell AT. ChemInform Abstract: Iron(III) Porphyrin Catalyzed Epoxidation of Olefins by Hydrogen Peroxide: An Analysis of the Reaction Mechanism and the Factors Affecting Catalyst Activity and Selectivity Cheminform. 39. DOI: 10.1002/chin.200809258  0.716
2008 Stephenson NA, Bell AT. ChemInform Abstract: Mechanistic Insights into Iron Porphyrin Catalyzed Olefin Epoxidation by Hydrogen Peroxide: Factors Controlling Activity and Selectivity Cheminform. 39. DOI: 10.1002/chin.200805274  0.688
2008 Bell AT, Maginn EJ, Theodorou DN. Elementary Steps and Mechanisms: Computer Simulations: Molecular Simulation of Adsorption and Diffusion in Zeolites Handbook of Heterogeneous Catalysis. 3: 1165-1188. DOI: 10.1002/9783527619474.ch5b  0.58
2007 Khaliullin RZ, Head-Gordon M, Bell AT. Theoretical study of solvent effects on the thermodynamics of iron(III) [tetrakis(pentafluorophenyl)]porphyrin chloride dissociation. The Journal of Physical Chemistry. B. 111: 10992-8. PMID 17722913 DOI: 10.1021/Jp073557A  0.469
2007 Khaliullin RZ, Cobar EA, Lochan RC, Bell AT, Head-Gordon M. Unravelling the origin of intermolecular interactions using absolutely localized molecular orbitals. The Journal of Physical Chemistry. A. 111: 8753-65. PMID 17655284 DOI: 10.1021/Jp073685Z  0.448
2007 Stephenson NA, Bell AT. Mechanistic study of iron(III) [tetrakis(pentafluorophenyl)porphyrin triflate (F(20)TPP)Fe(OTf) catalyzed cyclooctene epoxidation by hydrogen peroxide. Inorganic Chemistry. 46: 2278-85. PMID 17311372 DOI: 10.1021/Ic060757C  0.739
2007 Bronkema JL, Leo DC, Bell AT. Mechanistic studies of methanol oxidation to formaldehyde on isolated vanadate sites supported on high surface area anatase Journal of Physical Chemistry C. 111: 14530-14540. DOI: 10.1021/Jp073826X  0.799
2007 Zheng X, Zhang Y, Bell AT. Density Functional Theory Study of CO Adsorption on Cu(I)-ZSM-5 The Journal of Physical Chemistry C. 111: 13442-13451. DOI: 10.1021/Jp072016I  0.304
2007 Bronkema JL, Bell AT. Mechanistic studies of methanol oxidation to formaldehyde on isolated vanadate sites supported on MCM-48 Journal of Physical Chemistry C. 111: 420-430. DOI: 10.1021/Jp0653149  0.801
2007 Chempath S, Yihua Z, Bell AT. DFT studies of the structure and vibrational spectra of isolated molybdena species supported on silica Journal of Physical Chemistry C. 111: 1291-1298. DOI: 10.1021/Jp064741J  0.71
2007 Zakzeski JJ, Bell AT. Oxidative carbonylation of toluene to p-toluic acid catalyzed by rhodium in the presence of vanadium and oxygen Journal of Molecular Catalysis a: Chemical. 276: 8-16. DOI: 10.1016/J.Molcata.2007.06.013  0.767
2007 Stephenson NA, Bell AT. Mechanistic insights into iron porphyrin-catalyzed olefin epoxidation by hydrogen peroxide: Factors controlling activity and selectivity Journal of Molecular Catalysis a: Chemical. 275: 54-62. DOI: 10.1016/J.Molcata.2007.05.005  0.723
2007 Stephenson NA, Bell AT. Effects of porphyrin composition on the activity and selectivity of the iron(III) porphyrin catalysts for the epoxidation of cyclooctene by hydrogen peroxide Journal of Molecular Catalysis a: Chemical. 272: 108-117. DOI: 10.1016/J.Molcata.2007.03.030  0.731
2007 Zhang Y, Briggs DN, de Smit E, Bell AT. Effects of zeolite structure and composition on the synthesis of dimethyl carbonate by oxidative carbonylation of methanol on Cu-exchanged Y, ZSM-5, and Mordenite Journal of Catalysis. 251: 443-452. DOI: 10.1016/J.Jcat.2007.07.018  0.767
2007 Chempath S, Bell AT. A DFT study of the mechanism and kinetics of methane oxidation to formaldehyde occurring on silica-supported molybdena Journal of Catalysis. 247: 119-126. DOI: 10.1016/J.Jcat.2007.01.012  0.739
2006 Heyden A, Hansen N, Bell AT, Keil FJ. Nitrous oxide decomposition over Fe-ZSM-5 in the presence of nitric oxide: a comprehensive DFT study. The Journal of Physical Chemistry. B. 110: 17096-114. PMID 16928005 DOI: 10.1021/Jp062814T  0.356
2006 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, ... ... Bell AT, et al. Advances in methods and algorithms in a modern quantum chemistry program package. Physical Chemistry Chemical Physics : Pccp. 8: 3172-91. PMID 16902710 DOI: 10.1039/B517914A  0.637
2006 Chempath S, Predescu C, Bell AT. Quantum mechanical single molecule partition function from path integral Monte Carlo simulations. The Journal of Chemical Physics. 124: 234101. PMID 16821901 DOI: 10.1063/1.2196885  0.699
2006 Stephenson NA, Bell AT. 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. Inorganic Chemistry. 45: 5591-9. PMID 16813423 DOI: 10.1021/Ic0521067  0.732
2006 Drake IJ, Zhang Y, Gilles MK, Teris Liu CN, Nachimuthu P, Perera RC, Wakita H, Bell AT. An in situ Al K-edge XAS investigation of the local environment of H+- and Cu+-exchanged USY and ZSM-5 zeolites. The Journal of Physical Chemistry. B. 110: 11665-76. PMID 16800461 DOI: 10.1021/Jp058244Z  0.714
2006 Drake IJ, Zhang Y, Briggs D, Lim B, Chau T, Bell AT. The local environment of Cu+ in Cu-Y zeolite and its relationship to the synthesis of dimethyl carbonate. The Journal of Physical Chemistry. B. 110: 11654-64. PMID 16800460 DOI: 10.1021/Jp058245R  0.788
2006 Khaliullin RZ, Head-Gordon M, Bell AT. An efficient self-consistent field method for large systems of weakly interacting components. The Journal of Chemical Physics. 124: 204105. PMID 16774317 DOI: 10.1063/1.2191500  0.444
2006 Chempath S, Bell AT. Density functional theory analysis of the reaction pathway for methane oxidation to acetic acid catalyzed by Pd2+ in sulfuric acid. Journal of the American Chemical Society. 128: 4650-7. PMID 16594702 DOI: 10.1021/Ja055756I  0.704
2006 Stephenson NA, Bell AT. Influence of solvent composition on the kinetics of cyclooctene epoxidation by hydrogen peroxide catalyzed by iron(III) [tetrakis(pentafluorophenyl)] porphyrin chloride [(F20TPP)FeCl]. Inorganic Chemistry. 45: 2758-66. PMID 16529501 DOI: 10.1021/Ic0521776  0.718
2006 Ohler N, Bell AT. Study of the elementary processes involved in the selective oxidation of methane over MoOx/SiO2. The Journal of Physical Chemistry. B. 110: 2700-9. PMID 16471874 DOI: 10.1021/Jp058229U  0.812
2006 Karshtedt D, Bell AT, Don Tilley T. Stoichiometric and catalytic reactions involving Si-H bond activations by Rh and Ir complexes containing a pyridylindolide ligand Organometallics. 25: 4471-4482. DOI: 10.1021/Om060492+  0.318
2006 Karshtedt D, McBee JL, Bell AT, Don Tilley T. Stoichiometric and catalytic arene activations by platinum complexes containing bidentate monoanionic nitrogen-based ligands Organometallics. 25: 1801-1811. DOI: 10.1021/Om0600902  0.321
2006 Zhang Y, Drake IJ, Bell AT. Characterization of Cu-ZSM-5 Prepared by Solid-State Ion Exchange of H-ZSM-5 with CuCl. Cheminform. 37. DOI: 10.1021/Cm052291M  0.725
2006 Zhang Y, Drake IJ, Bell AT. Characterization of Cu-ZSM-5 prepared by solid-state ion exchange of H-ZSM-5 with CuCl Chemistry of Materials. 18: 2347-2356. DOI: 10.1021/cm052291m  0.689
2006 Zerella M, Bell AT. Pt-catalyzed oxidative carbonylation of methane to acetic acid in sulfuric acid Journal of Molecular Catalysis a: Chemical. 259: 296-301. DOI: 10.1016/J.Molcata.2006.06.059  0.806
2006 Stephenson NA, Bell AT. The influence of substrate composition on the kinetics of olefin epoxidation by hydrogen peroxide catalyzed by iron(III) [tetrakis(pentafluorophenyl)] porphyrin Journal of Molecular Catalysis a: Chemical. 258: 231-235. DOI: 10.1016/J.Molcata.2006.05.034  0.736
2006 Zhang Y, Drake IJ, Briggs DN, Bell AT. Synthesis of dimethyl carbonate and dimethoxy methane over Cu-ZSM-5 Journal of Catalysis. 244: 219-229. DOI: 10.1016/J.Jcat.2006.09.002  0.801
2006 Pokrovski KA, Bell AT. Effect of dopants on the activity of Cu/M0.3Zr0.7O2 (M = Ce, Mn, and Pr) for CO hydrogenation to methanol Journal of Catalysis. 244: 43-51. DOI: 10.1016/J.Jcat.2006.07.031  0.366
2006 Pokrovski KA, Bell AT. An investigation of the factors influencing the activity of Cu/CexZr1-xO2 for methanol synthesis via CO hydrogenation Journal of Catalysis. 241: 276-286. DOI: 10.1016/J.Jcat.2006.05.002  0.4
2006 Ruddy DA, Ohler NL, Bell AT, Tilley TD. Thermolytic molecular precursor route to site-isolated vanadia-silica materials and their catalytic performance in methane selective oxidation Journal of Catalysis. 238: 277-285. DOI: 10.1016/J.Jcat.2005.11.032  0.807
2006 Zerella M, Kahros A, Bell AT. Methane oxidation to acetic acid catalyzed by Pd2+ cations in the presence of oxygen Journal of Catalysis. 237: 111-117. DOI: 10.1016/J.Jcat.2005.10.023  0.781
2006 Khaliullin RZ, Head-Gordon M, Bell AT. Efficient evaluation of the error vector in the direct inversion in the iterative subspace scheme Chemical Physics Letters. 418: 359-360. DOI: 10.1016/J.Cplett.2005.10.138  0.424
2005 Khaliullin RZ, Bell AT, Head-Gordon M. A density functional theory study of the mechanism of free radical generation in the system vanadate/PCA/H2O2. The Journal of Physical Chemistry. B. 109: 17984-92. PMID 16853308 DOI: 10.1021/Jp058162A  0.516
2005 Yang S, Iglesia E, Bell AT. Oxidative dehydrogenation of propane over V2O5/MoO3/Al2O3 and V2O5/Cr2O3/Al2O3: structural characterization and catalytic function. The Journal of Physical Chemistry. B. 109: 8987-9000. PMID 16852071 DOI: 10.1021/Jp040708Q  0.328
2005 Argyle MD, Chen K, Iglesia E, Bell AT. In situ UV-visible spectroscopic measurements of kinetic parameters and active sites for catalytic oxidation of alkanes on vanadium oxides. The Journal of Physical Chemistry. B. 109: 2414-20. PMID 16851236 DOI: 10.1021/Jp040166C  0.366
2005 Ohler N, Bell AT. A study of the redox properties of MoOx/SiO2. The Journal of Physical Chemistry. B. 109: 23419-29. PMID 16375315 DOI: 10.1021/Jp058230T  0.796
2005 Karshtedt D, Bell AT, Tilley TD. Platinum-based catalysts for the hydroamination of olefins with sulfonamides and weakly basic anilines. Journal of the American Chemical Society. 127: 12640-6. PMID 16144412 DOI: 10.1021/Ja052836D  0.53
2005 Brutchey RL, Drake IJ, Bell AT, Tilley TD. Liquid-phase oxidation of alkylaromatics by a H-atom transfer mechanism with a new heterogeneous CoSBA-15 catalyst. Chemical Communications (Cambridge, England). 3736-8. PMID 16027928 DOI: 10.1039/B506426K  0.765
2005 Stephenson NA, Bell AT. A study of the mechanism and kinetics of cyclooctene epoxidation catalyzed by iron(III) tetrakispentafluorophenyl porphyrin. Journal of the American Chemical Society. 127: 8635-43. PMID 15954768 DOI: 10.1021/Ja043380N  0.722
2005 Stephenson NA, Bell AT. Quantitative analysis of hydrogen peroxide by 1H NMR spectroscopy. Analytical and Bioanalytical Chemistry. 381: 1289-93. PMID 15756600 DOI: 10.1007/S00216-005-3086-7  0.717
2005 Pokrovski KA, Rhodes MD, Bell AT. Effects of cerium incorporation into zirconia on the activity of Cu/ZrO2 for methanol synthesis via CO hydrogenation Journal of Catalysis. 235: 368-377. DOI: 10.1016/J.Jcat.2005.09.002  0.706
2005 Holland AW, Li G, Shahin AM, Long GJ, Bell AT, Tilley TD. New Fe/SiO2 materials prepared using diiron molecular precursors: Synthesis, characterization and catalysis Journal of Catalysis. 235: 150-163. DOI: 10.1016/J.Jcat.2005.07.003  0.521
2005 Rhodes MD, Pokrovski KA, Bell AT. The effects of zirconia morphology on methanol synthesis from CO and H 2 over Cu/ZrO2 catalysts: Part II. Transient-response infrared studies Journal of Catalysis. 233: 210-220. DOI: 10.1016/J.Jcat.2005.04.027  0.69
2005 Rhodes MD, Bell AT. The effects of zirconia morphology on methanol synthesis from CO and H 2 over Cu/ZrO2 catalysts: Part I. Steady-state studies Journal of Catalysis. 233: 198-209. DOI: 10.1016/J.Jcat.2005.04.026  0.671
2005 Heyden A, Bell AT, Keil FJ. Kinetic modeling of nitrous oxide decomposition on Fe-ZSM-5 based on parameters obtained from first-principles calculations Journal of Catalysis. 233: 26-35. DOI: 10.1016/J.Jcat.2005.04.003  0.34
2005 Ohler N, Bell AT. Selective oxidation of methane over MoOx/SiO2: Isolation of the kinetics of reactions occurring in the gas phase and on the surfaces of SiO2 and MoOx Journal of Catalysis. 231: 115-130. DOI: 10.1016/J.Jcat.2004.12.024  0.799
2005 Drake IJ, Fujdala KL, Bell AT, Tilley TD. Dimethyl carbonate production via the oxidative carbonylation of methanol over Cu/SiO2 catalysts prepared via molecular precursor grafting and chemical vapor deposition approaches Journal of Catalysis. 230: 14-27. DOI: 10.1016/J.Jcat.2004.10.001  0.767
2005 Hess C, Drake IJ, Hoefelmeyer JD, Tilley TD, Bell AT. Partial oxidation of methanol over highly dispersed vanadia supported on silica SBA-15 Catalysis Letters. 105: 1-8. DOI: 10.1007/S10562-005-7997-X  0.784
2005 Mukhopadhyay S, Zerella M, Bell AT. A high-yield, liquid-phase approach for the partial oxidation of methane to methanol using SO3 as the oxidant Advanced Synthesis and Catalysis. 347: 1203-1206. DOI: 10.1002/Adsc.200404394  0.789
2004 Zerella M, Mukhopadhyay S, Bell AT. Direct oxidation of methane to acetic acid catalyzed by Pd2+ and Cu2+ in the presence of molecular oxygen. Chemical Communications (Cambridge, England). 1948-9. PMID 15340615 DOI: 10.1039/B405549G  0.784
2004 Fujdala KL, Drake IJ, Bell AT, Tilley TD. Atomic level control over surface species via a molecular precursor approach: isolated Cu(I) sites and Cu nanoparticles supported on mesoporous silica. Journal of the American Chemical Society. 126: 10864-6. PMID 15339170 DOI: 10.1021/Ja048701+  0.747
2004 Mukhopadhyay S, Zerella M, Bell AT, Srinivas RV, Smith GS. Synthesis of methanesulfonyl chloride (MSC) from methane and sulfuryl chloride. Chemical Communications (Cambridge, England). 472-3. PMID 14765264 DOI: 10.1039/B314160H  0.788
2004 Drake IJ, Liu TCN, Gilles M, Tyliszczak T, Kilcoyne ALD, Shuh DK, Mathies RA, Bell AT. An in situ cell for characterization of solids by soft x-ray absorption Review of Scientific Instruments. 75: 3242-3247. DOI: 10.1063/1.1791320  0.72
2004 Tada H, Bronkema J, Bell AT. Application of In Situ Surface-Enhanced Raman Spectroscopy (SERS) to the Study of Citrate Oxidation on Silica-Supported Silver Nanoparticles Catalysis Letters. 92: 93-99. DOI: 10.1023/B:Catl.0000014338.20674.Bf  0.793
2004 Karshtedt D, Bell AT, Tilley TD. Pt-Ag catalyst system for hydroarylations with unactivated arenes and olefins Acs National Meeting Book of Abstracts. 228: INOR-45. DOI: 10.1021/om0495325  0.422
2004 Karshtedt D, Bell AT, Tilley TD. Pt-Ag catalyst system for hydroarylations with unactivated arenes and olefins Acs National Meeting Book of Abstracts. 228: INOR-45. DOI: 10.1021/Om0495325  0.493
2004 Drake IJ, Fujdala KL, Baxamusa S, Bell AT, Tilley TD. Effects of precursor composition on the local structure of Cu dispersed on mesoporous silica: A detailed X-ray absorption spectroscopy study Journal of Physical Chemistry B. 108: 18421-18434. DOI: 10.1021/Jp040255P  0.754
2004 Liang W, Bell AT, Head-Gordon M, Chakraborty AK. Density Functional Theory Investigations of the Direct Oxidation of Methane on an Fe-Exchanged Zeolite The Journal of Physical Chemistry B. 108: 4362-4368. DOI: 10.1021/Jp030929G  0.499
2004 Dai H, Chen L, Tilley TD, Iglesia E, Bell AT. Effects of additives on the activity and selectivity of supported vanadia catalysts for the oxidative dehydrogenation of propane Studies in Surface Science and Catalysis. 147: 679-684. DOI: 10.1016/S0167-2991(04)80131-9  0.522
2004 Mukhopadhyay S, Zerella M, Bell AT. Synthesis of methanesulfonic acid and acetic acid by the direct sulfonation or carboxylation of methane Studies in Surface Science and Catalysis. 147: 523-528. DOI: 10.1016/S0167-2991(04)80105-8  0.774
2004 Liang W, Baer R, Saravanan C, Shao Y, Bell AT, Head-Gordon M. Fast methods for resumming matrix polynomials and Chebyshev matrix polynomials Journal of Computational Physics. 194: 575-587. DOI: 10.1016/J.Jcp.2003.08.027  0.386
2004 Evans OR, Bell AT, Tilley TD. Oxidative dehydrogenation of propane over vanadia-based catalysts supported on high-surface-area mesoporous MgAl2O4 Journal of Catalysis. 226: 292-300. DOI: 10.1016/J.Jcat.2004.06.002  0.538
2004 Wood BR, Reimer JA, Bell AT, Janicke MT, Ott KC. Methanol formation on Fe/Al-MFI via the oxidation of methane by nitrous oxide Journal of Catalysis. 225: 300-306. DOI: 10.1016/J.Jcat.2004.04.010  0.529
2004 Wood BR, Reimer JA, Bell AT, Janicke MT, Ott KC. Nitrous oxide decomposition and surface oxygen formation on Fe-ZSM-5 Journal of Catalysis. 224: 148-155. DOI: 10.1016/J.Jcat.2004.02.025  0.521
2004 Dai H, Bell AT, Iglesia E. Effects of molybdena on the catalytic properties of vanadia domains supported on alumina for oxidative dehydrogenation of propane Journal of Catalysis. 221: 491-499. DOI: 10.1016/J.Jcat.2003.09.020  0.369
2004 Mukhopadhyay S, Bell A. Direct Sulfonation of Methane to Methanesulfonic Acid by Sulfur Trioxide Catalyzed by Cerium(IV) Sulfate in the Presence of Molecular Oxygen Advanced Synthesis & Catalysis. 346: 913-916. DOI: 10.1002/Adsc.200404060  0.377
2003 Zerella M, Mukhopadhyay S, Bell AT. Synthesis of mixed acid anhydrides from methane and carbon dioxide in acid solvents. Organic Letters. 5: 3193-6. PMID 12943385 DOI: 10.1021/Ol0348856  0.783
2003 Argyle MD, Chen K, Resini C, Krebs C, Bell AT, Iglesia E. In situ UV-visible assessment of extent of reduction during oxidation reactions on oxide catalysts. Chemical Communications (Cambridge, England). 2082-3. PMID 12934922 DOI: 10.1039/B305264H  0.344
2003 Mukhopadhyay S, Bell AT. A high-yield approach to the sulfonation of methane to methanesulfonic acid initiated by H2O2 and a metal chloride. Angewandte Chemie (International Ed. in English). 42: 2990-3. PMID 12851950 DOI: 10.1002/Anie.200350976  0.326
2003 Mukhopadhyay S, Bell AT. Direct sulfonation of methane to methanesulfonic acid with SO2 using Ca salts as promoters. Journal of the American Chemical Society. 125: 4406-7. PMID 12683795 DOI: 10.1021/Ja0281737  0.307
2003 Bell AT. The impact of nanoscience on heterogeneous catalysis. Science (New York, N.Y.). 299: 1688-91. PMID 12637733 DOI: 10.1126/Science.1083671  0.319
2003 Mukhopadhyay S, Bell AT. Direct catalytic sulfonation of methane with SO2 to methanesulfonic acid (MSA) in the presence of molecular O2 Chemical Communications. 1590-1591. DOI: 10.1039/B303561A  0.357
2003 Mukhopadhyay S, Bell AT. A Novel Method for the Direct Sulfonation of CH4with SO3in the Presence of KO2and a Promoter Organic Process Research & Development. 7: 754-757. DOI: 10.1021/Op0300140  0.336
2003 Mukhopadhyay S, Bell AT. Direct Sulfonation of Methane at Low Pressure to Methanesulfonic Acid in the Presence of Potassium Peroxydiphosphate as the Initiator Organic Process Research & Development. 7: 161-163. DOI: 10.1021/Op020079N  0.305
2003 Karshtedt D, Bell AT, Tilley TD. Synthesis and study of heterobimetallic complexes supported by a ferrocene-based bisphosphine-diamine ligand Organometallics. 22: 2855-2861. DOI: 10.1021/Om0300631  0.477
2003 Ryder JA, Chakraborty AK, Bell AT. Density functional theory study of benzene oxidation over Fe-ZSM-5 Journal of Catalysis. 220: 84-91. DOI: 10.1016/S0021-9517(03)00275-6  0.339
2002 Nozaki C, Lugmair CG, Bell AT, Tilley TD. Synthesis, characterization, and catalytic performance of single-site iron(III) centers on the surface of SBA-15 silica. Journal of the American Chemical Society. 124: 13194-203. PMID 12405848 DOI: 10.1021/Ja020388T  0.5
2002 Kazansky V, Serykh A, Bell A. Catalysis Letters. 83: 191-199. DOI: 10.1023/A:1021034030361  0.323
2002 Jung KT, Bell AT. Effects of Catalyst Phase Structure on the Elementary Processes Involved in the Synthesis of Dimethyl Carbonate from Methanol and Carbon Dioxide over Zirconia Topics in Catalysis. 20: 97-105. DOI: 10.1023/A:1016307617328  0.343
2002 Pavlovskaya GE, Ren CD, Van Buskirk M, Dybowski C, Corbin DR, Reimer JA, Bell AT. Cadmium solid state NMR studies of cadmium-exchanged zeolites Catalysis Letters. 80: 19-24. DOI: 10.1023/A:1015362307333  0.508
2002 Jung KT, Bell AT. Effects of Zirconia Phase on the Synthesis of Methanol over Zirconia-Supported Copper Catalysis Letters. 80: 63-68. DOI: 10.1023/A:1015326726898  0.358
2002 Ryder JA, Chakraborty AK, Bell AT. Density Functional Theory Study of Nitrous Oxide Decomposition over Fe- and Co-ZSM-5 The Journal of Physical Chemistry B. 106: 7059-7064. DOI: 10.1021/Jp014705E  0.35
2002 Khaliullin RZ, Bell AT. A density functional theory study of the oxidation of methanol to formaldehyde over vanadia supported on silica, titania, and zirconia Journal of Physical Chemistry B. 106: 7832-7838. DOI: 10.1021/Jp014695H  0.354
2002 Mukhopadhyay S, Bell AT. Effects of Solvent Acidity on the Free-Radical-Initiated Synthesis of Methanesulfonic Acid from CH4and SO3 Industrial & Engineering Chemistry Research. 41: 5901-5905. DOI: 10.1021/Ie020392D  0.328
2002 Liang W, Shao Y, Ochsenfeld C, Bell AT, Head-Gordon M. Fast evaluation of a linear number of local exchange matrices Chemical Physics Letters. 358: 43-50. DOI: 10.1016/S0009-2614(02)00559-6  0.427
2002 Chen K, Bell AT, Iglesia E. The Relationship between the Electronic and Redox Properties of Dispersed Metal Oxides and Their Turnover Rates in Oxidative Dehydrogenation Reactions Journal of Catalysis. 209: 35-42. DOI: 10.1006/Jcat.2002.3620  0.347
2002 Wood BR, Reimer JA, Bell AT. Studies of N2O adsorption and decomposition on FE-ZSM-5 Journal of Catalysis. 209: 151-158. DOI: 10.1006/Jcat.2002.3610  0.543
2002 Argyle MD, Chen K, Bell AT, Iglesia E. Effect of catalyst structure on oxidative dehydrogenation of ethane and propane on alumina-supported vanadia Journal of Catalysis. 208: 139-149. DOI: 10.1006/Jcat.2002.3570  0.335
2002 Pak C, Bell AT, Tilley TD. Oxidative dehydrogenation of propane over vanadia-magnesia catalysts prepared by thermolysis of OV(OtBu)3 in the presence of nanocrystalline MgO Journal of Catalysis. 206: 49-59. DOI: 10.1006/Jcat.2001.3473  0.512
2001 Arakawa H, Aresta M, Armor JN, Barteau MA, Beckman EJ, Bell AT, Bercaw JE, Creutz C, Dinjus E, Dixon DA, Domen K, DuBois DL, Eckert J, Fujita E, Gibson DH, et al. Catalysis research of relevance to carbon management: progress, challenges, and opportunities. Chemical Reviews. 101: 953-96. PMID 11709862 DOI: 10.1021/Cr000018S  0.324
2001 Khaliullin RZ, Bell AT, Kazansky VB. An experimental and density functional theory study of the interactions of CH4 with H-ZSM-5 Journal of Physical Chemistry A. 105: 10454-10461. DOI: 10.1021/Jp012377C  0.313
2001 Niessen HG, Van Buskirk M, Dybowski C, Corbin DR, Reimer JA, Bell AT. Solid-State NMR Studies of Lead-Containing Zeolites The Journal of Physical Chemistry B. 105: 2945-2950. DOI: 10.1021/Jp003418S  0.535
2001 Chen K, Iglesia E, Bell AT. Isotopic Tracer Studies of Reaction Pathways for Propane Oxidative Dehydrogenation on Molybdenum Oxide Catalysts The Journal of Physical Chemistry B. 105: 646-653. DOI: 10.1021/Jp002100X  0.355
2001 Lobree LJ, Bell AT. K2S2O8-Initiated Sulfonation of Methane to Methanesulfonic Acid Industrial & Engineering Chemistry Research. 40: 736-742. DOI: 10.1021/Ie000725B  0.312
2001 Chen K, Iglesia E, Bell AT. Catalytic Properties of Supported MoO3 Catalysts for Oxidative Dehydrogenation of Propane Studies in Surface Science and Catalysis. 136. DOI: 10.1016/S0167-2991(01)80354-2  0.334
2001 Bell AT. Molecular Design of Highly Active Methanol Synthesis Catalysts Studies in Surface Science and Catalysis. 136: 13-19. DOI: 10.1016/S0167-2991(01)80273-1  0.369
2001 Jung KT, Bell AT. An in Situ Infrared Study of Dimethyl Carbonate Synthesis from Carbon Dioxide and Methanol over Zirconia Journal of Catalysis. 204: 339-347. DOI: 10.1006/Jcat.2001.3411  0.338
2001 Chen K, Xie S, Bell AT, Iglesia E. Structure and Properties of Oxidative Dehydrogenation Catalysts Based on MoO3/Al2O3 Journal of Catalysis. 198: 232-242. DOI: 10.1006/Jcat.2000.3125  0.339
2000 Xie S, Iglesia E, Bell AT. Effects of Hydration and Dehydration on the Structure of Silica-Supported Vanadia Species Langmuir. 16: 7162-7167. DOI: 10.1021/La0003342  0.301
2000 Ryder JA, Chakraborty AK, Bell AT. Density functional theory study of proton mobility in zeolites: Proton migration and hydrogen exchange in ZSM-5 Journal of Physical Chemistry B. 104: 6998-7011. DOI: 10.1021/Jp9943427  0.342
2000 Gilardoni F, Bell AT, Chakraborty A, Boulet P. Density Functional Theory Calculations of the Oxidative Dehydrogenation of Propane on the (010) Surface of V2O5† The Journal of Physical Chemistry B. 104: 12250-12255. DOI: 10.1021/Jp001746M  0.338
2000 Rice MJ, Chakraborty AK, Bell AT. Theoretical Studies of the Coordination and Stability of Divalent Cations in ZSM-5 The Journal of Physical Chemistry B. 104: 9987-9992. DOI: 10.1021/Jp0009352  0.322
2000 Jung KT, Bell AT. The effects of synthesis and pretreatment conditions on the bulk structure and surface properties of zirconia Journal of Molecular Catalysis a-Chemical. 163: 27-42. DOI: 10.1016/S1381-1169(00)00397-6  0.305
2000 Ryder JA, Rice MJ, Gilardoni F, Chakraborty AK, Bell AT. Applications of density functional theory to identify reaction pathways for processes occurring in zeolites and on dispersed metal oxides Studies in Surface Science and Catalysis. 130: 407-412. DOI: 10.1016/S0167-2991(00)80991-X  0.334
2000 Chen K, Xie S, Bell AT, Iglesia E. Alkali Effects on Molybdenum Oxide Catalysts for the Oxidative Dehydrogenation of Propane Journal of Catalysis. 195: 244-252. DOI: 10.1006/Jcat.2000.3025  0.37
2000 Male JL, Niessen HG, Bell AT, Don Tilley T. Thermolytic molecular precursor route to active and selective vanadia-zirconia catalysts for the oxidative dehydrogenation of propane Journal of Catalysis. 194: 431-444. DOI: 10.1006/Jcat.2000.2938  0.392
2000 Jung K, Bell AT. Role of Hydrogen Spillover in Methanol Synthesis over Cu/ZrO2 Journal of Catalysis. 193: 207-223. DOI: 10.1006/Jcat.2000.2881  0.316
2000 Chen K, Iglesia E, Bell AT. Kinetic Isotopic Effects in Oxidative Dehydrogenation of Propane on Vanadium Oxide Catalysts Journal of Catalysis. 192: 197-203. DOI: 10.1006/Jcat.2000.2832  0.321
2000 Chen K, Xie S, Iglesia E, Bell AT. Structure and Properties of Zirconia-Supported Molybdenum Oxide Catalysts for Oxidative Dehydrogenation of Propane Journal of Catalysis. 189: 421-430. DOI: 10.1006/Jcat.1999.2720  0.369
1999 Lobree LJ, Hwang I, Reimer JA, Bell AT. An in situ infrared study of NO reduction by C3H8 over Fe-ZSM-5 Catalysis Letters. 63: 233-240. DOI: 10.1023/A:1019033508479  0.535
1999 Rulkens R, Male JL, Terry KW, Olthof B, Khodakov A, Bell AT, Iglesia E, Tilley TD. Vanadyltert-Butoxy Orthosilicate, OV[OSi(OtBu)3]3:  A Model for Isolated Vanadyl Sites on Silica and a Precursor to Vanadia−Silica Xerogels† Chemistry of Materials. 11: 2966-2973. DOI: 10.1021/Cm990350O  0.479
1999 Au-Yeung J, Chen K, Bell AT, Iglesia E. Isotopic Studies of Methane Oxidation Pathways on PdO Catalysts Journal of Catalysis. 188: 132-139. DOI: 10.1006/Jcat.1999.2643  0.354
1999 Lobree LJ, Hwang I, Reimer JA, Bell AT. Investigations of the State of Fe in H–ZSM-5 Journal of Catalysis. 186: 242-253. DOI: 10.1006/Jcat.1999.2548  0.497
1999 Au-Yeung J, Bell AT, Iglesia E. The Dynamics of Oxygen Exchange with Zirconia-Supported PdO Journal of Catalysis. 185: 213-218. DOI: 10.1006/Jcat.1999.2512  0.302
1999 Chen K, Khodakov A, Yang J, Bell AT, Iglesia E. Isotopic Tracer and Kinetic Studies of Oxidative Dehydrogenation Pathways on Vanadium Oxide Catalysts Journal of Catalysis. 186: 325-333. DOI: 10.1006/Jcat.1999.2510  0.391
1999 Schilke TC, Fisher IA, Bell AT. In SituInfrared Study of Methanol Synthesis from CO2/H2on Titania and Zirconia Promoted Cu/SiO2 Journal of Catalysis. 184: 144-156. DOI: 10.1006/Jcat.1999.2434  0.367
1999 Fisher IA, Bell AT. A Mechanistic Study of Methanol Decomposition over Cu/SiO2, ZrO2/SiO2, and Cu/ZrO2/SiO2 Journal of Catalysis. 184: 357-376. DOI: 10.1006/Jcat.1999.2420  0.325
1999 Lobree LJ, Aylor AW, Reimer JA, Bell AT. NO Reduction by CH4in the Presence of O2over Pd-H-ZSM-5 Journal of Catalysis. 181: 189-204. DOI: 10.1006/Jcat.1998.2303  0.496
1999 Khodakov A, Olthof B, Bell AT, Iglesia E. Structure and Catalytic Properties of Supported Vanadium Oxides: Support Effects on Oxidative Dehydrogenation Reactions Journal of Catalysis. 181: 205-216. DOI: 10.1006/Jcat.1998.2295  0.34
1998 Hu S, Reimer JA, Bell AT. Single-input double-tuned circuit for double resonance nuclear magnetic resonance experiments Review of Scientific Instruments. 69: 477-478. DOI: 10.1063/1.1148458  0.47
1998 Schilke TC, Fisher IA, Bell AT. Catalysis Letters. 54: 105-111. DOI: 10.1023/A:1019044425607  0.384
1998 Rice MJ, Chakraborty AK, Bell AT. A Density Functional Theory Study of the Interactions of H2O with H−ZSM-5, Cu−ZSM-5, and Co−ZSM-5 The Journal of Physical Chemistry A. 102: 7498-7504. DOI: 10.1021/Jp981108S  0.314
1998 and SCS, Bell AT. A Study of the Structure of Vanadium Oxide Dispersed on Zirconia Journal of Physical Chemistry B. 102: 7000-7007. DOI: 10.1021/Jp9810365  0.317
1998 KHODAKOV A, YANG J, SU S, IGLESIA E, BELL A. Structure and properties of vanadium oxide-zirconia catalysts for propane oxidative dehydrogenation Journal of Catalysis. 177: 343-351. DOI: 10.1006/Jcat.1998.2143  0.327
1998 Fisher IA, Bell AT. In Situ Infrared Study of Methanol Synthesis from H2/CO over Cu/SiO2and Cu/ZrO2/SiO2 Journal of Catalysis. 178: 153-173. DOI: 10.1006/Jcat.1998.2134  0.313
1998 Su SC, Carstens JN, Bell AT. A Study of the Dynamics of Pd Oxidation and PdO Reduction by H2and CH4 Journal of Catalysis. 176: 125-135. DOI: 10.1006/Jcat.1998.2028  0.313
1997 Shen V, Watanabe K, Bell AT. Theoretical Analysis of the Thermodynamics of ZSM-11 Zeolite Synthesis The Journal of Physical Chemistry B. 101: 2207-2212. DOI: 10.1021/Jp9631341  0.331
1997 Hu S, Reimer JA, Bell AT. 65Cu NMR Spectroscopy of Cu-Exchanged ZSM-5 Catalysts The Journal of Physical Chemistry B. 101: 1869-1871. DOI: 10.1021/Jp9630380  0.497
1997 Bell AT. Experimental and theoretical studies of NO decomposition and reduction over metal-exchanged ZSM-5 Catalysis Today. 38: 151-156. DOI: 10.1016/S0920-5861(97)00059-X  0.349
1997 Maginn EJ, Snurr RQ, Bell AT, Theodorou DN. Simulation of hydrocarbon diffusion in zeolites Studies in Surface Science and Catalysis. 105: 1851-1858. DOI: 10.1016/S0167-2991(97)80652-0  0.589
1997 Aylor AW, Lobree LJ, Reimer JA, Bell AT. Investigations of the Dispersion of Pd in H-ZSM-5 Journal of Catalysis. 172: 453-462. DOI: 10.1006/Jcat.1997.1893  0.505
1997 Aylor AW, Lobree LJ, Reimer JA, Bell AT. NO Adsorption, Desorption, and Reduction by CH4 over Mn-ZSM-5 Journal of Catalysis. 170: 390-401. DOI: 10.1006/Jcat.1997.1776  0.523
1997 Lobree LJ, Aylor AW, Reimer JA, Bell AT. Role of Cyanide Species in the Reduction of NO by CH4over Co–ZSM-5 Journal of Catalysis. 169: 188-193. DOI: 10.1006/Jcat.1997.1699  0.52
1996 Shore JS, Wang SH, Taylor RE, Bell AT, Pines A. Determination of quadrupolar and chemical shielding tensors using solid‐state two‐dimensional NMR spectroscopy The Journal of Chemical Physics. 105: 9412-9420. DOI: 10.1063/1.472776  0.425
1996 Trout BL, Chakraborty AK, Bell AT. Analysis of the Thermochemistry of NOxDecomposition over CuZSM-5 Based on Quantum Chemical and Statistical Mechanical Calculations The Journal of Physical Chemistry. 100: 17582-17592. DOI: 10.1021/Jp961470B  0.338
1996 Maginn EJ, Bell AT, Theodorou DN. Dynamics of Longn-Alkanes in Silicalite:  A Hierarchical Simulation Approach The Journal of Physical Chemistry. 100: 7155-7173. DOI: 10.1021/Jp953200J  0.616
1996 Aylor AW, Lobree LJ, Reimer JA, Bell AT. An infrared study of NO reduction by CH4 over Co-ZSM-5 Studies in Surface Science and Catalysis. 101: 661-670. DOI: 10.1016/S0167-2991(96)80277-1  0.531
1996 Gittleman C, Watanabe K, Bell A, Radke C. A mechanistic study of the synthesis of zeolite SSZ-24 Microporous Materials. 6: 131-150. DOI: 10.1016/0927-6513(95)00094-1  0.533
1996 Su SC, Bell AT. Raman studies of peroxide formation, decomposition, and reduction on Ba/MgO Catalysis Letters. 36: 15-19. DOI: 10.1007/Bf00807199  0.391
1996 Gittleman CS, Bell AT, Radke CJ. The role of alkali cations in zeolite synthesis from silicate solutions containing N,N,N-trimethyl-1-adamantammonium cations Catalysis Letters. 38: 1-9. DOI: 10.1007/Bf00806891  0.516
1996 Fisher IA, Bell AT. A Comparative Study of CO and CO2Hydrogenation over Rh/SiO2 Journal of Catalysis. 162: 54-65. DOI: 10.1006/Jcat.1996.0259  0.378
1996 Carstens JN, Bell AT. Methane Activation and Conversion to Higher Hydrocarbons on Supported Ruthenium Journal of Catalysis. 161: 423-429. DOI: 10.1006/Jcat.1996.0200  0.339
1995 Maginn EJ, Bell AT, Theodorou DN. Sorption Thermodynamics, Siting, and Conformation of Long n-Alkanes in Silicalite As Predicted by Configurational-Bias Monte Carlo Integration The Journal of Physical Chemistry. 99: 2057-2079. DOI: 10.1021/J100007A042  0.632
1995 Kyrlidis A, Cook SJ, Chakraborty AK, Bell AT, Theodorou DN. Electronic Structure Calculations of Ammonia Adsorption in H-ZSM-5 Zeolites The Journal of Physical Chemistry. 99: 1505-1515. DOI: 10.1021/J100005A022  0.531
1995 Snurr RQ, Bell AT, Theodorou DN. Investigation of the dynamics of benzene in silicalite using transition-state theory Studies in Surface Science and Catalysis. 98: 240-241. DOI: 10.1016/S0167-2991(06)81172-9  0.608
1995 Bell AT. The influence of metal oxides on the activity and selectivity of transition metal catalysts Journal of Molecular Catalysis a: Chemical. 100: 1-11. DOI: 10.1016/1381-1169(95)00132-8  0.348
1995 Gittleman CS, Lee SS, Bell AT, Radke CJ. Zeolite synthesis from tetraalkylammonium silicate gels Microporous Materials. 3: 511-530. DOI: 10.1016/0927-6513(94)00062-Z  0.526
1995 Boffa AB, Galloway HC, Jacobs PW, Benítez JJ, Batteas JD, Salmeron M, Bell AT, Somorjai GA. The growth and structure of titanium oxide films on Pt(111) investigated by LEED, XPS, ISS, and STM Surface Science. 326: 80-92. DOI: 10.1016/0039-6028(94)00760-8  0.322
1995 Aylor AW, Larsen SC, Reimer JA, Bell AT. An Infrared Study of NO Decomposition over Cu-ZSM-5 Journal of Catalysis. 157: 592-602. DOI: 10.1006/Jcat.1995.1324  0.648
1995 Clarke D, Bell A. An Infrared Study of Methanol Synthesis from CO2 on Clean and Potassium-Promoted Cu/SiO2 Journal of Catalysis. 154: 314-328. DOI: 10.1006/Jcat.1995.1173  0.368
1995 Komaya T, Bell AT, Wengsieh Z, Gronsky R, Engelke F, King TS, Pruski M. Effects of Sodium on the Structure and Fischer-Tropsch Synthesis Activity of Ru/TiO2 Journal of Catalysis. 152: 350-359. DOI: 10.1006/Jcat.1995.1089  0.354
1994 Snurr RQ, Bell AT, Theodorou DN. Investigation of the dynamics of benzene in silicalite using Transition-State Theory The Journal of Physical Chemistry. 98: 11948-11961. DOI: 10.1021/J100097A022  0.614
1994 Larsen SC, Aylor A, Bell AT, Reimer JA. Electron Paramagnetic Resonance Studies of Copper Ion-Exchanged ZSM-5 The Journal of Physical Chemistry. 98: 11533-11540. DOI: 10.1021/J100095A039  0.669
1994 Kritzenberger J, Gaede HC, Shore JS, Pines A, Bell AT. 129Xe NMR Study of TiO2 (Anatase)-Supported V2O5 Catalysts The Journal of Physical Chemistry. 98: 10173-10179. DOI: 10.1021/J100091A037  0.484
1994 Snurr RQ, Bell AT, Theodorou DN. A hierarchical atomistic/lattice simulation approach for the prediction of adsorption thermodynamics of benzene in silicalite The Journal of Physical Chemistry. 98: 5111-5119. DOI: 10.1021/J100070A028  0.621
1994 Griffiths JM, Bell AT, Reimer JA. Magnetic Resonance Studies of Propene Adsorption on Alumina-Supported Platinum Surfaces The Journal of Physical Chemistry. 98: 1918-1925. DOI: 10.1021/J100058A033  0.554
1994 Kenaston NP, Bell AT, Reimer JA. Determination of the aluminum-hydrogen (Al-H) and H-H internuclear distances in ZSM-5 using NMR spectroscopy The Journal of Physical Chemistry. 98: 894-896. DOI: 10.1021/J100054A025  0.505
1994 Maginn EJ, Bell AT, Theodorou DN. Low-Occupancy Sorption Thermodynamics of Long Alkanes in Silicalite Via Molecular Simulation Studies in Surface Science and Catalysis. 84: 2099-2105. DOI: 10.1016/S0167-2991(08)63771-4  0.62
1994 Gittleman CS, Bell AT, Radke CJ. Role of tetrapropylammonium cations in gel-phase silicalite synthesis Microporous Materials. 2: 145-158. DOI: 10.1016/0927-6513(93)E0047-K  0.512
1994 Bafrali R, Bell AT. Adsorption and decomposition of CH3NH2 on Mo(100)-c(2 × 2)N Surface Science. 316: 267-276. DOI: 10.1016/0039-6028(94)91219-X  0.314
1994 KOMAYA T, BELL A. Estimates of rate coefficients for elementary processes occurring during Fischer-Tropsch synthesis over Ru/TiO2 Journal of Catalysis. 146: 237-248. DOI: 10.1016/0021-9517(94)90027-2  0.32
1994 Boffa AB, Lin C, Bell AT, Somorjai GA. Lewis acidity as an explanation for oxide promotion of metals: implications of its importance and limits for catalytic reactions Catalysis Letters. 27: 243-249. DOI: 10.1007/Bf00813909  0.341
1994 Pittman RM, Bell AT. Raman investigations of NH3 adsorption on TiO2, NB2O5, and Nb2O5/TiO2 Catalysis Letters. 24: 1-13. DOI: 10.1007/Bf00807369  0.344
1994 Komaya T, Bell AT, Wengsieh Z, Gronsky R, Engelke F, King TS, Pruski M. Effects of Dispersion and Metal-Metal Oxide Interactions on Fischer-Tropsch Synthesis over Ru/TiO2 and TiO2-Promoted Ru/SiO2 Journal of Catalysis. 150: 400-406. DOI: 10.1006/Jcat.1994.1358  0.386
1994 Clarke D, Lee D, Sandoval M, Bell A. Infrared Studies of the Mechanism of Methanol Decomposition on Cu/SiO2 Journal of Catalysis. 150: 81-93. DOI: 10.1006/Jcat.1994.1324  0.326
1994 Boffa A, Lin C, Bell A, Somorjai G. Promotion of CO and CO2 Hydrogenation over Rh by Metal Oxides: The Influence of Oxide Lewis Acidity and Reducibility Journal of Catalysis. 149: 149-158. DOI: 10.1006/Jcat.1994.1280  0.331
1994 Komaya T, Bell AT, Wengsieh Z, Gronsky R, Engelke F, King TS, Pruski M. The Influence of Metal-Support Interactions on the Accurate Determination of Ru Dispersion for Ru/TiO2 Journal of Catalysis. 149: 142-148. DOI: 10.1006/Jcat.1994.1279  0.337
1993 Armstrong PA, Bell AT, Reimer JA. The effect of electric field gradient asymmetry on motionally averaged spin-1 powder patterns. Solid State Nuclear Magnetic Resonance. 2: 1-10. PMID 7812738 DOI: 10.1016/0926-2040(93)90058-U  0.464
1993 Sevick EM, Bell AT, Theodorou DN. A chain of states method for investigating infrequent event processes occurring in multistate, multidimensional systems The Journal of Chemical Physics. 98: 3196-3212. DOI: 10.1063/1.464093  0.498
1993 Snurr RQ, Bell AT, Theodorou DN. Prediction of adsorption of aromatic hydrocarbons in silicalite from grand canonical Monte Carlo simulations with biased insertions The Journal of Physical Chemistry. 97: 13742-13752. DOI: 10.1021/J100153A051  0.614
1993 Maginn EJ, Bell AT, Theodorou DN. Transport diffusivity of methane in silicalite from equilibrium and nonequilibrium simulations The Journal of Physical Chemistry. 97: 4173-4181. DOI: 10.1021/J100118A038  0.606
1993 Armstrong PA, Bell AT, Reimer JA. Comparison of the dynamics and orientation of chemisorbed benzene and pyridine on molybdenum nitride (.gamma.-Mo2N) The Journal of Physical Chemistry. 97: 1952-1960. DOI: 10.1021/J100111A037  0.496
1993 Mortlock RF, Bell AT, Radke CJ. Phosphorus-31 and aluminum-27 NMR investigations of the effects of pH on aqueous solutions containing aluminum and phosphorus The Journal of Physical Chemistry. 97: 775-782. DOI: 10.1021/J100105A040  0.495
1993 Mortlock RF, Bell AT, Radke CJ. Phosphorus-31 and aluminum-27 NMR investigations of highly acidic, aqueous solutions containing aluminum and phosphorus The Journal of Physical Chemistry. 97: 767-774. DOI: 10.1021/J100105A039  0.49
1993 Lee KS, Reimer JA, Bell AT. Investigations of Hydrodenitrogenation of Quinoline Over Molybdenum Nitride Studies in Surface Science and Catalysis. 75: 2197-2200. DOI: 10.1016/S0167-2991(08)64259-7  0.512
1993 Krishna KR, Bell AT. Isotopic Tracer Studies of Chain Propagation and Termination During Fischer-Tropsch Synthesis Over Ru/TiO2 Studies in Surface Science and Catalysis. 75: 181-193. DOI: 10.1016/S0167-2991(08)64009-4  0.322
1993 Shustorovich E, Bell AT. Decomposition and reduction of NO on transition metal surfaces: bond order conservation Morse potential analysis Surface Science. 289: 127-138. DOI: 10.1016/0039-6028(93)90892-N  0.362
1993 Abe H, Bell AT. Catalytic hydrotreating of indole, benzothiophene, and benzofuran over Mo2N Catalysis Letters. 18: 1-8. DOI: 10.1007/Bf00769492  0.337
1993 Abe H, Cheung T-, Bell AT. The activity of transition metal nitrides for hydrotreating quinoline and thiophene Catalysis Letters. 21: 11-18. DOI: 10.1007/Bf00767365  0.342
1993 Chmelka BF, Went GT, Csencsits R, Bell AT, Petersen EE, Radke CJ. Oxidation of Reduced Platinum Clusters in Pt-NaY Journal of Catalysis. 144: 506-524. DOI: 10.1006/Jcat.1993.1350  0.537
1993 Sandoval M, Bell A. Temperature-Programmed Desorption Studies of the Interactions of H2, CO, and CO2 with Cu/SiO2 Journal of Catalysis. 144: 227-237. DOI: 10.1006/Jcat.1993.1326  0.313
1993 Abe H, Bell A. Synthesis of Butyronitrile via Ammonolysis of Butylalcohol and Dehydrogenation of Butylamine over Mo2N Journal of Catalysis. 142: 430-436. DOI: 10.1006/Jcat.1993.1220  0.314
1993 Boffa A, Bell A, Somorjai G. Vanadium Oxide Deposited on an Rh Foil: CO and CO2 Hydrogenation Reactivity Journal of Catalysis. 139: 602-610. DOI: 10.1006/Jcat.1993.1053  0.355
1993 Krishna K, Bell A. Estimates of the Rate Coefficients for Chain Initiation, Propagation, and Termination during Fischer-Tropsch Synthesis over Ru/TiO2 Journal of Catalysis. 139: 104-118. DOI: 10.1006/Jcat.1993.1011  0.316
1993 Lee KS, Abe H, Reimer JA, Bell AT. Hydrodenitrogenation of Quinoline over High-Surface-Area Mo2N Journal of Catalysis. 139: 34-40. DOI: 10.1006/Jcat.1993.1004  0.524
1992 Mortlock RF, Bell AT, Radke CJ. Silicon-29 and gallium-71 NMR investigations of alkylammonium gallosilicate solutions The Journal of Physical Chemistry. 96: 2968-2975. DOI: 10.1021/J100186A038  0.495
1992 Went GT, Leu LJ, Lombardo SJ, Bell AT. Raman spectroscopy and thermal desorption of ammonia adsorbed on titania (anatase)-supported vanadia The Journal of Physical Chemistry. 96: 2235-2241. DOI: 10.1021/J100184A039  0.307
1992 June RL, Bell AT, Theodorou DN. Molecular dynamics studies of butane and hexane in silicalite The Journal of Physical Chemistry. 96: 1051-1060. DOI: 10.1021/J100182A009  0.496
1992 Ginter D, Bell A, Radke C. The effects of gel aging on the synthesis of NaY zeolite from colloidal silica Zeolites. 12: 742-749. DOI: 10.1016/0144-2449(92)90126-A  0.509
1992 Ginter DM, Went GT, Bell AT, Radke CJ. A physicochemical study of the againg of colloidal silica gels used in zeolite Y synthesis Zeolites. 12: 733-741. DOI: 10.1016/0144-2449(92)90125-9  0.539
1992 Shustorovich E, Bell AT. Oxygen-assisted cleavage of OH, NH, and CH bonds on transition metal surfaces: bond-order-conservation-Morse-potential analysis Surface Science. 268: 397-405. DOI: 10.1016/0039-6028(92)90979-G  0.323
1992 Bafrali R, Bell AT. Interactions of H2 and NH3 with Mo(100) and Mo(100)-c(2 × 2) N surfaces Surface Science. 278: 353-363. DOI: 10.1016/0039-6028(92)90671-R  0.303
1992 Went GT, Leu L, Rosin RR, Bell AT. The effects of structure on the catalytic activity and selectivity of V2O5/TiO2 for the reduction of NO by NH3 Journal of Catalysis. 134: 492-505. DOI: 10.1016/0021-9517(92)90337-H  0.395
1992 Went GT, Leu L, Bell AT. Quantitative structural analysis of dispersed vanadia species in TiO2(anatase)-supported V2O5 Journal of Catalysis. 134: 479-491. DOI: 10.1016/0021-9517(92)90336-G  0.344
1991 Snurr RQ, June RL, Bell AT, Theodorou DN. Molecular simulations of methane adsorption in silicalite Molecular Simulation. 8: 73-92. DOI: 10.1080/08927029108022468  0.621
1991 Hendricks WM, Bell AT, Radke CJ. Effects of solvent structure on the distribution of silicate anions in mixed aqueous/organic solutions of alkaline tetramethylammonium silicate The Journal of Physical Chemistry. 95: 9519-9524. DOI: 10.1021/J100176A088  0.48
1991 Hendricks WM, Bell AT, Radke CJ. Effects of organic and alkali metal cations on the distribution of silicate anions in aqueous solutions The Journal of Physical Chemistry. 95: 9513-9518. DOI: 10.1021/J100176A087  0.476
1991 June RL, Bell AT, Theodorou DN. Transition-state studies of xenon and sulfur hexafluoride diffusion in silicalite The Journal of Physical Chemistry. 95: 8866-8878. DOI: 10.1021/J100175A083  0.496
1991 Mortlock RF, Bell AT, Radke CJ. Incorporation of aluminum into silicate anions in aqueous and methanolic solutions of TMA silicates The Journal of Physical Chemistry. 95: 7847-7851. DOI: 10.1021/J100173A054  0.499
1991 Mortlock RF, Bell AT, Chakraborty AK, Radke CJ. Effect of silicate ratio on the distribution of silicate and aluminosilicate anions in TPA aluminosilicate solutions The Journal of Physical Chemistry. 95: 4501-4506. DOI: 10.1021/J100164A060  0.501
1991 June RL, Bell AT, Theodorou DN. Molecular dynamics study of methane and xenon in silicalite [Erratum to document cited in CA113(20):183284q] The Journal of Physical Chemistry. 95: 1014-1014. DOI: 10.1021/J100155A098  0.462
1991 Mortlock RF, Bell AT, Radke CJ. NMR investigations of tetrapropylammonium aluminosilicate and borosilicate solutions The Journal of Physical Chemistry. 95: 372-378. DOI: 10.1021/J100154A067  0.482
1991 Shustorovich E, Bell AT. Synthesis and decomposition of ammonia on transition metal surfaces: bond-order-conservation-Morse-potential analysis Surface Science. 259. DOI: 10.1016/0167-2584(91)90311-E  0.351
1991 Shustorovich E, Bell AT. An analysis of Fischer-Tropsch synthesis by the bond-order-conservation-Morse-potential approach Surface Science. 248: 359-368. DOI: 10.1016/0039-6028(91)91182-W  0.357
1991 Shustorovich E, Bell AT. An analysis of methanol synthesis from CO and CO2 on Cu and Pd surfaces by the bond-order-conservation-Morse-potential approach Surface Science. 253: 386-394. DOI: 10.1016/0039-6028(91)90609-V  0.351
1991 Shustorovich E, Bell AT. Surface science lettersSynthesis and decomposition of ammonia on transition metal surfaces: bond-order-conservation-Morse-potential analysis Surface Science. 259. DOI: 10.1016/0039-6028(91)90553-5  0.349
1991 Lombardo SJ, Bell AT. Monte Carlo simulations of the effect of pressure on isothermal and temperature-programmed desorption kinetics Surface Science. 245: 213-224. DOI: 10.1016/0039-6028(91)90480-G  0.317
1991 Went GT, Bell AT. Laser Raman spectroscopy of NH3 and ND3 adsorbed on TiO2(anatase) Catalysis Letters. 11: 111-117. DOI: 10.1007/Bf00866908  0.305
1991 Williams KJ, Boffa AB, Salmeron M, Bell AT, Somorjai GA. The effects of titania overlayers on C2H4/CO/H2 reactions over a Rh foil Catalysis Letters. 11: 77-87. DOI: 10.1007/Bf00866904  0.361
1991 Williams KJ, Boffa AB, Salmeron M, Bell AT, Somorjai GA. The kinetics of CO2 hydrogenation on a Rh foil promoted by titania overlayers Catalysis Letters. 9: 415-426. DOI: 10.1007/Bf00764834  0.352
1991 Lonsinger SR, Chakraborty AK, Theodorou DN, Bell AT. The effects of local structural relaxation on aluminum siting within H-ZSM-5 Catalysis Letters. 11: 209-217. DOI: 10.1007/Bf00764087  0.516
1990 June RL, Bell AT, Theodorou DN. Molecular dynamics study of methane and xenon in silicalite The Journal of Physical Chemistry. 94: 8232-8240. DOI: 10.1021/J100384A047  0.51
1990 June RL, Bell AT, Theodorou DN. Prediction of low occupancy sorption of alkanes in silicalite The Journal of Physical Chemistry. 94: 1508-1516. DOI: 10.1021/J100367A056  0.495
1990 Bell AT, Shustorovich E. Analysis of the thermochemistry of C2 hydrocarbons on transition metal surfaces using a refined BOC-MP approach Surface Science. 235: 343-350. DOI: 10.1016/0039-6028(90)90809-M  0.323
1990 Bell AT. The impact of catalyst science on catalyst design and development Chemical Engineering Science. 45: 2013-2026. DOI: 10.1016/0009-2509(90)80074-O  0.336
1990 Williams KJ, Boffa AB, Lahtinen J, Salmeron M, Bell AT, Somorjai GA. Hydrogenation of CO2, acetone, and CO on a Rh foil promoted by titania overlayers Catalysis Letters. 5: 385-394. DOI: 10.1007/Bf00765181  0.342
1990 MCCORMICK AV, BELL AT. ChemInform Abstract: The Solution Chemistry of Zeolite Precursors Cheminform. 21. DOI: 10.1002/chin.199023327  0.453
1989 Mccormick AV, Bell AT. The Solution Chemistry of Zeolite Precursors Catalysis Reviews. 31: 97-127. DOI: 10.1080/01614948909351349  0.496
1989 McCormick AV, Bell AT, Radke CJ. Influence of alkali-metal cations on silicon exchange and silicon-29 spin relaxation in alkaline silicate solutions [Erratum to document cited in CA110(14):122353c] The Journal of Physical Chemistry. 93: 8270-8270. DOI: 10.1021/J100362A024  0.612
1989 Oyama ST, Went GT, Lewis KB, Bell AT, Somorjai GA. Oxygen chemisorption and laser Raman spectroscopy of unsupported and silica-supported vanadium oxide catalysts The Journal of Physical Chemistry. 93: 6786-6790. DOI: 10.1021/J100355A041  0.339
1989 Haddix GW, Bell AT, Reimer JA. NMR studies of model hydrodenitrogenation catalysis: acetonitrile hydrogenation on .gamma.-dimolybdenum mononitride The Journal of Physical Chemistry. 93: 5859-5865. DOI: 10.1021/J100352A041  0.516
1989 McCormick AV, Bell AT, Radke CJ. Multinuclear NMR investigation of the formation of aluminosilicate anions The Journal of Physical Chemistry. 93: 1741-1744. DOI: 10.1021/J100342A015  0.648
1989 McCormick AV, Bell AT, Radke CJ. Influence of alkali-metal cations on silicon exchange and silicon-29 spin relaxation in alkaline silicate solutions The Journal of Physical Chemistry. 93: 1737-1741. DOI: 10.1021/J100342A014  0.632
1989 McCormick AV, Bell AT, Radke CJ. Evidence from alkali-metal NMR spectroscopy for ion pairing in alkaline silicate solutions The Journal of Physical Chemistry. 93: 1733-1737. DOI: 10.1021/J100342A013  0.633
1989 Chmelka BF, Rosin RR, Went GT, Bell AT, Radke CJ, Petersen EE. The Chemistry of Pt-NaY Zeolite Preparation Studies in Surface Science and Catalysis. 49: 995-1004. DOI: 10.1016/S0167-2991(08)61986-2  0.545
1989 Ginter DM, Radke CJ, Bell AT. Applications of MAS-NMR Spectroscopy to the Study of Faujasite Synthesis Studies in Surface Science and Catalysis. 49: 161-168. DOI: 10.1016/S0167-2991(08)61715-2  0.529
1989 Tejuca LG, Bell AT, Cortés Corberán V. TPD and IR spectroscopic studies of CO, CO2 and H2 adsorption on LaCrO3 Applied Surface Science. 37: 353-366. DOI: 10.1016/0169-4332(89)90496-0  0.301
1989 Shustorovich E, Bell AT. An analysis of formic acid decomposition on metal surfaces by the bond-order-conservation-Morse-potential approach Surface Science. 222: 371-382. DOI: 10.1016/0167-2584(89)90930-4  0.327
1989 Lombardo SJ, Bell AT. Monte carlo simulation of temperature-programmed desorption of coadsorbed species Surface Science. 224: 451-475. DOI: 10.1016/0039-6028(89)90925-4  0.313
1989 Ginter DM, Bell AT, Radke CJ. Magic-angle-spinning NMR spectroscopy of gels Journal of Magnetic Resonance (1969). 81: 217-219. DOI: 10.1016/0022-2364(89)90284-9  0.457
1989 Corber�n VC, Tejuca LG, Bell AT. Surface reactivity of reduced LaFeO3 as studied by TPD and IR spectroscopies of CO, CO2 and H2 Journal of Materials Science. 24: 4437-4442. DOI: 10.1007/Bf00544527  0.31
1988 McCormick AV, Bell AT, Radke CJ. The Influence of Alkali Metal Hydroxides on Silica Condensation Rates: The Role of Ion Pairing Mrs Proceedings. 121. DOI: 10.1557/Proc-121-67  0.648
1988 Fleisch TH, Bell AT, Regalbuto JR, Thomson RT, Lane GS, Wolf EE, Hicks RF. X-ray photoemission studies of strong metal-support interaction (SMSI): Metal decoration and electronic effects Studies in Surface Science and Catalysis. 38: 791-802. DOI: 10.1016/S0167-2991(09)60707-2  0.544
1988 Tejuca LG, Bell AT, Fierro JLG, Peña MA. Surface behaviour of reduced LaCoO3 as studied by TPD of CO, CO2 and H2 probes and by XPS Applied Surface Science. 31: 301-316. DOI: 10.1016/0169-4332(88)90095-5  0.331
1988 Levin M, Williams K, Salmeron M, Bell A, Somorjai G. Alumina and titania overlayers on rhodium: A comparison of the chemisorption catalytic properties Surface Science. 195: 341-351. DOI: 10.1016/0039-6028(88)90800-X  0.311
1988 Levin M, Salmeron M, Bell A, Somorjai G. The characterization of Ti and Al oxide overlayers on rhodium and gold by XPS Surface Science. 195: 429-442. DOI: 10.1016/0039-6028(88)90351-2  0.33
1988 Shustorovich E, Bell AT. Analysis of CO hydrogenation pathways using the bond-order-conservation method Journal of Catalysis. 113: 341-352. DOI: 10.1016/0021-9517(88)90263-1  0.334
1988 Haddix GW, Jones DH, Reimer JA, Bell AT. Characterization of NH3 adsorbed on γ-Mo2N by NMR spectroscopy Journal of Catalysis. 112: 556-564. DOI: 10.1016/0021-9517(88)90170-4  0.516
1988 Williams KJ, Levin ME, Salmeron M, Bell AT, Somorjai GA. Ethylene hydrogenation and ethane hydrogenolysis on a Rh foil with titania overlayers Catalysis Letters. 1: 331-338. DOI: 10.1007/Bf00774876  0.334
1988 Haddix GW, Bell AT, Reimer JA. Characterization of CO adsorbed on γ-Mo2N by NMR spectroscopy Catalysis Letters. 1: 207-212. DOI: 10.1007/BF00766176  0.431
1987 McCormick AV, Bell AT, Radke CJ. The Effect of Alkali Metal Cations on The Structure of Dissolved Silicate Oligomers Mrs Proceedings. 111. DOI: 10.1557/Proc-111-107  0.646
1987 Levin ME, Salmeron M, Bell AT, Somorjai GA. The effects of titania and alumina overlayers on the hydrogenation of CO over rhodium Journal of the Chemical Society, Faraday Transactions 1: Physical Chemistry in Condensed Phases. 83: 2061. DOI: 10.1039/F19878302061  0.361
1987 Reichmann MG, Bell AT. Raman study of the preparation of silica- and alumina-supported titania from titanium tetramethoxide and nitric acid Langmuir. 3: 563-567. DOI: 10.1021/La00076A022  0.309
1987 Reichmann MG, Bell AT. Raman study of the preparation of silica-supported titania from titanium tetrachloride and hydrogen chloride Langmuir. 3: 111-116. DOI: 10.1021/La00073A020  0.319
1987 Underwood RP, Bell AT. Influence of particle size on carbon monoxide hydrogenation over silica- and lanthana-supported rhodium Applied Catalysis. 34: 289-310. DOI: 10.1016/S0166-9834(00)82463-X  0.376
1987 Reichmann MG, Bell AT. The influence of preparation chemistry on the phase distribution ofsilica-supported titania Applied Catalysis. 32: 315-326. DOI: 10.1016/S0166-9834(00)80634-X  0.309
1987 McCormick AV, Bell AT, Radke CJ. Quantitative determination of siliceous species in sodium silicate solutions by 29Si n.m.r. spectroscopy Zeolites. 7: 183-190. DOI: 10.1016/0144-2449(87)90048-0  0.64
1987 Haddix GW, Reimer JA, Bell AT. A nuclear magnetic resonance probe for in situ studies of adsorbed species on catalysts Journal of Catalysis. 106: 111-115. DOI: 10.1016/0021-9517(87)90216-8  0.535
1987 Ranhotra GS, Bell AT, Reimer JA. Catalysis over molybdenum carbides and nitrides. II. Studies of CO hydrogenation and C2H6 hydrogenolysis Journal of Catalysis. 108: 40-49. DOI: 10.1016/0021-9517(87)90153-9  0.535
1987 Ranhotra GS, Haddix GW, Bell AT, Reimer JA. Catalysis over molybdenum carbides and nitrides. I. Catalyst characterization Journal of Catalysis. 108: 24-39. DOI: 10.1016/0021-9517(87)90152-7  0.564
1987 Bell AT. CO hydrogenation over group VII metals: New insights into factors controlling catalyst activity and selectivity Reaction Kinetics and Catalysis Letters. 35: 107-121. DOI: 10.1007/Bf02062148  0.328
1987 Haddix GW, Reimer JA, Bell AT. Characterization of H2 adsorbed on γ-Mo2N by NMR spectroscopy Journal of Catalysis. 108: 50-54. DOI: 10.1007/Bf00766176  0.499
1987 BELL AT, MCCORMICK AV, HENDRICKS WM, RADKE CJ. ChemInform Abstract: Applications of NMR Spectroscopy in the Study of Zeolite Synthesis. Cheminform. 18. DOI: 10.1002/chin.198708007  0.605
1986 Tascon JMD, Olivan AMO, Tejuca LG, Bell AT. A study of reduction and adsorption on lanthanum rhodium oxide (LaRhO3) The Journal of Physical Chemistry. 90: 791-795. DOI: 10.1021/J100277A018  0.31
1986 McCormick AV, Bell AT, Radke CJ. Application of 29Si and 27Al NMR to determine the distribution of anions in sodium silicate and sodium alumino-silicate solutions Studies in Surface Science and Catalysis. 28: 247-254. DOI: 10.1016/S0167-2991(09)60880-6  0.647
1986 Underwood RP, Bell AT. CO hydrogenation over rhodium supported on SiO2, La2O3, Nd2O3 and Sm2O3 Applied Catalysis. 21: 157-168. DOI: 10.1016/S0166-9834(00)81336-6  0.377
1986 Dictor RA, Bell AT. Studies of fischer-Tropsch synthesis over a fused iron catalyst Applied Catalysis. 20: 145-162. DOI: 10.1016/0166-9834(86)80012-4  0.352
1986 Pande NK, Bell AT. Effect of promoting Rh/SiO2 with TiO2 on the reduction of nitric oxide Applied Catalysis. 20: 109-122. DOI: 10.1016/0166-9834(86)80009-4  0.355
1986 Levin M, Salmeron M, Bell A, Somorjai G. The influence of TiOx deposits on a polycrystalline Rh foil on CO adsorption and deposition Surface Science. 169: 123-137. DOI: 10.1016/0039-6028(86)90742-9  0.311
1986 Pande NK, Bell AT. Influence of support composition on the reduction of nitric oxide over rhodium catalysts Journal of Catalysis. 98: 7-16. DOI: 10.1016/0021-9517(86)90291-5  0.364
1986 Pande NK, Bell AT. A study of the interactions of NO with Rh TiO2 and TiO2-promoted Rh TiO2 Journal of Catalysis. 97: 137-149. DOI: 10.1016/0021-9517(86)90044-8  0.342
1985 Hicks RF, Bell AT. Kinetics of methanol and methane synthesis over Pd/SiO2 and Pd/La2O3 Journal of Catalysis. 91: 104-115. DOI: 10.1016/0021-9517(85)90293-3  0.541
1985 Singh AK, Pande NK, Bell AT. Electron microscopy study of the interactions of rhodium with titania Journal of Catalysis. 94: 422-435. DOI: 10.1016/0021-9517(85)90207-6  0.328
1985 Winslow P, Bell AT. Studies of carbon- and hydrogen-containing adspecies present during CO hydrogenation over unsupported Ru, Ni and Rh Journal of Catalysis. 94: 385-399. DOI: 10.1016/0021-9517(85)90204-0  0.349
1985 Duncan TM, Winslow P, Bell AT. The characterization of carbonaceous species on ruthenium catalysts with 13C nuclear magnetic resonance spectroscopy Journal of Catalysis. 93: 1-22. DOI: 10.1016/0021-9517(85)90146-0  0.334
1985 Duncan TM, Reimer JA, Winslow P, Bell AT. The characterization of alkyl intermediates on silica-supported ruthenium with 13C nuclear magnetic resonance spectroscopy Journal of Catalysis. 95: 305-308. DOI: 10.1016/0021-9517(85)90033-8  0.481
1985 Stern D, Bell AT, Heinemann H. Experimental and theoretical studies of Fischer—Tropsch synthesis over ruthenium in a bubble-column reactor Chemical Engineering Science. 40: 1917-1924. DOI: 10.1016/0009-2509(85)80128-7  0.34
1985 Stern D, Bell AT, Heinemann H. A theoretical model for the performance of bubble-column reactors used for Fischer-Tropsch synthesis Chemical Engineering Science. 40: 1665-1677. DOI: 10.1016/0009-2509(85)80027-0  0.321
1985 HICKS RF, BELL AT. ChemInform Abstract: KINETICS OF METHANOL AND METHANE SYNTHESIS OVER PALLADIUM/SILICA AND PALLADIUM/LANTHANUM OXIDE Chemischer Informationsdienst. 16. DOI: 10.1002/chin.198518080  0.519
1985 HICKS RF, BELL AT. ChemInform Abstract: EFFECTS OF METAL-SUPPORT INTERACTIONS ON THE HYDROGENATION OF CARBON MONOXIDE OVER PALLADIUM/SILICA AND PALLADIUM/LANTHANUM OXIDE Chemischer Informationsdienst. 16. DOI: 10.1002/chin.198515104  0.5
1984 Hicks RF, Yen Q, Bell AT, Fleisch TH. The influence of metal-support interactions on the catalytic properties of Pd/La2O3 Applications of Surface Science. 19: 315-329. DOI: 10.1016/0378-5963(84)90069-2  0.501
1984 Winslow P, Bell AT. Application of transient response techniques for quantitative determination of adsorbed carbon monoxide and carbon present on the surface of a ruthenium catalyst during Fischer-Tropsch synthesis Journal of Catalysis. 86: 158-172. DOI: 10.1016/0021-9517(84)90357-9  0.379
1984 Hicks RF, Yen QJ, Bell AT. Effects of metal-support interactions on the chemisorption of H2 and CO on Pd SiO2 and Pd La2O3 Journal of Catalysis. 89: 498-510. DOI: 10.1016/0021-9517(84)90326-9  0.525
1984 Chan SS, Bell AT. Characterization of the preparation of Pd SiO2 and Pd La2O3 by laser Raman spectroscopy Journal of Catalysis. 89: 433-441. DOI: 10.1016/0021-9517(84)90319-1  0.329
1984 Hicks RF, Bell AT. Effects of metal-support interactions on the hydrogenation of CO over Pd SiO2 and Pd La2O3 Journal of Catalysis. 90: 205-220. DOI: 10.1016/0021-9517(84)90249-5  0.504
1984 Fleisch TH, Hicks RF, Bell AT. An XPS study of metal-support interactions on Pd SiO2 and Pd La2O3 Journal of Catalysis. 87: 398-413. DOI: 10.1016/0021-9517(84)90200-8  0.525
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