Publications

2019

Bollini, P. Chen, T.T.; Neurock, M.; Bhan, A.; "Mechanistic role of water in HSSZ-13 catalyzed methanol-to-olefins conversion" Catalysis Science and technology 9 (2019) 4374-4383. 10.1039/C9CY01015G

Hwang, A.; Bhan, A.; "Deactivation of Zeolites and Zeotypes in Methanol-to-Hydrocarbons Catalysis: Mechanisms and Circumvention" Accounts of Chemical Research (2019) Just Accepted. 10.1021/acs.accounts.9b00204

Harris, J.W.; Herron, J.A.; DeWilde, J.F.; Bhan, A.; "Molecular characteristics governing chlorine deposition and removal on promoted Ag catalysts during ethylene epoxidation" Journal of Catalysis 377 (2019) 378-388.10.1016/j.jcat.2019.07.043

Foley, B.L.; Johnson, B.A.; Bhan, A.; "A Method for Assessing Catalyst Deactivation: A Case Study on Methanol-to-Hydrocarbons Conversion", ACS Catalysis 9 (2019)  7065-7072. 10.1021/acscatal.9b01106

Arora, S.S.; Shi, Z.; Bhan, A.; "A mechanistic basis for effects of high-pressure H2 co-feeds on methanol-to-hydrocarbons catalysis over zeolites", ACS Catalysis 9 (2019) 6284-6292. 10.1021/acscatal.9b00969

Razdan, N.K.; Kumar, A.; Bhan, A.; "Controlling kinetic and diffusive length-scales during absorptive hydrogen removal in methane dehydroaromatization on MoCx/H-ZSM-5 catalysts", Journal of Catalysis 372 (2019) 370-381. 10.1016/j,jcat.2019.03.016

Miller, J.H.; Bui, L.; Bhan, A.; "Pathways, mechanisms, and kinetics: a strategy to examine byproduct selectivity in partial oxidation catalytic transformations on reducible oxides", Reaction Chemistry & Engineering 4 (2019) 784-805. 10.1039/C8RE00285A

Vitillo, J.G.; Bhan, A; Cramer, C. J.; Lu, C.C.; Gagliardi, L.; "Quantum Chemical Characterization of Structural Single Fe(II) Sites in MIL-Type Metal–Organic Frameworks for the Oxidation of Methane to Methanol and Ethane to Ethanol", ACS Catalysis 9 (2019) 2870–287910.1021/acscatal.8b04813

Kumar, A.; Bhan, A.; "Oxygen content as a variable to control product selectivity in hydrodeoxygenation reactions on molybdenum carbide catalysts", Chemical Engineering Science 197 (2019) 371-378. 10.1016/j.ces.2018.12.027

Hwang, A.; Le, T.T.; Shi, Z.; Dai, H.; Rimer, J.D.; Bhan, A.; "Effects of diffusional constraints on lifetime and selectivity in methanol-to-olefins catalysis on HSAPO-34", Journal of Catalysis 369 (2019) 122-132. 10.1016/j.jcat.2018.10.031

Hwang, A.; Johnson, B.A.; Bhan, A.; "Mechanistic study of methylbenzene dealkylation in methanol-to-olefins catalysis on HSAPO-34", Journal of Catalysis 369 (2019) 86-94.10.1016/j.jcat.2018.10.022

2018

Kumar, A.; Song, K.; Liu, L.; Han, Y.; Bhan, A.; "Absorptive hydrogen scavenging for enhanced aromatics yield during non‐oxidative methane dehydroaromatization on Mo/H‐ZSM‐5 catalysts" Angewandte Chemie 130 (2018) 15803-15808 10.1002/ange.201809433

Miller, J. H.; Bhan, A.; “Kinetic modeling of acrolein oxidation over a promoted Mo-V oxide catalyst" ChemCatChem 10 (2018) 5511-5522. 10.1002/cctc.201801029

Miller, J. M.; Bhan, A.; “Reaction pathways in acrolein oxidation over a mixed-oxide catalyst” ChemCatChem 10 (2018) 5242-5255 10.1002/cctc.201801027

Harris, J. W.; Bhan, A; “Moderation of chlorine coverage and ethylene oxidation rate and selectivity via ethane oxychlorination over promoted Ag/α-Al2O3”, Journal of Catalysis 367(2018) 62-71. 10.1016/j.jcat.2018.08.021

Arora, S. S.; Nieskens, D. L. S.; Malek, A.; and Bhan, A.; "Lifetime improvement in methanol-to-olefins catalysis over chabazite materials by high-pressure H2 co-feeds", Nature Catalysis 1(2018) 666-672 10.1038/s41929-018-0125-2

Gupta, U.; Le, T.; Hu, W.S.; Bhan, A.; and Daoutidis, P.; "Automated Network Generation and Analysis of Biochemical Reaction Pathways Using RING" Metab. Eng. 49 (2018) 84 10.1016/j.ymben.2018.07.009

Kumar, A.; Phadke, S.; and Bhan, A.; "Acetic acid hydrodeoxygenation on molybdenum carbide catalysts", Catal. Sci. Technol. 8 (2018) 2938, 10.1039/C8CY00358K

Chen, C.-J.; Harris, J. W.; and Bhan, A.; "Kinetics of ethylene epoxidation on a promoted Ag/α‐Al2O3 catalyst ‐ the effects of product and chloride co‐feeds on rates and selectivity", Chemistry: A Europeean Journal 24 (2018) 12405-12415​​​​​. 10.1002/chem.201801356

Simons, M. C.; Ortuno, M. A.; Bernales, V.; Cramer, C. J.; Bhan, A.; and Gagliardi, A.; "C–H Bond activation on bimetallic two-atom Co-M oxide clusters deposited on Zr-based MOF nodes: Effects of doping at the molecular level", ACS Catalysis 8 (2018) 2864, 10.1021/acscatal.8b00012

Malonzo, C. D.; Wang, Z.; Duan, J.; Zhao, W.; Webber, T. E.; Li., Z.; Kim, I. S.; Kumar, A.; Bhan., A.; Platero-Prats, A. E.; Chapman, K. W.; Farha, O. K.; Hupp, J. T.; Martinson, A. B. F.; Penn, R. L.; and Stein, A.; "Application and Limitations of Nanocasting in Metal-Organic Frameworks", Inorganic Chemistry 57 (2018) 278210.1021/acs.inorgchem.7b03181

Bollini, P. and Bhan, A., "Deactivation mechanisms in methanol-to-hydrocarbons chemistry", Catalysis 30 (2018) 146, 10.1039/9781788013048-00146

Bollini, P. and Bhan, A., "Improving HSAPO-34 methanol-to-olefins turnover capacity by seeding the hydrocarbon pool", ChemPhysChem 19 (2018) 47910.1002/cphc.201701027

Sullivan, M. M. and Bhan, A., "Effects of oxygen coverage on rates and selectivity of propane-CO2 reactions on molybdenum carbide", Journal of Catalysis 357 (2018) 19510.1016/j.jcat.2017.11.004

2017

Arora, S. and Bhan, A., "The critical role of methanol pressure in controlling its transfer dehydrogenation and the corresponding effect on propylene-to-ethylene ratio during methanol-to-hydrocarbons catalysis on H-ZSM-5", Journal of Catalysis 356 (2017) 30010.1016/j.jcat.2017.10.014

Bui, L. and Bhan, A., "Mechanisms for C-C bond cleavage and formation during acrolein production on a mixed metal oxide catalyst", Applied Catalysis A: General 546 (2017) 8710.1016/j.apcata.2017.08.011

Hwang, A. and Bhan, A., "Bifunctional strategy coupling Y2O3-catalyzed alkanal decomposition with methanol-to-olefins catalysis for enhanced lifetime", ACS Catalysis 7 (2017) 441710.1021/acscatal.7b00894

Khare, R., Liu, Z., Han, Y., and Bhan, A., "A mechanistic basis for the effect of aluminum content on ethene selectivity in methanol-to-hydrocarbons conversion on HZSM-5", Journal of Catalysis 348 (2017) 30010.1016/j.jcat.2017.02.022

Wang, S., Agirrezabal-Telleria, I., Bhan, A., Simonetti, D., Takanabe, K., and Iglesia, E., "Catalytic routes to fuels from C1 and oxygenate molecules", Faraday Discussions 197 (2017) 910.1039/C7FD00018A

Hwang, A., Kumar, M., Rimer, J. D., and Bhan, A., "Implications of methanol disproportionation on catalyst lifetime for methanol-to-olefins conversion by HSSZ-13", Journal of Catalysis 346 (2017) 15410.1016/j.jcat.2016.12.003

Chen, C.-J. and Bhan, A., "Mo2C modification by CO2, H2O, and O2: Effects of oxygen content and oxygen source on rates and selectivity of m-cresol hydrodeoxygenation", ACS Catalysis 7 (2017) 111310.1021/acscatal.6b02762

2016

Gupta, U., Heo, S., Bhan, A., and Daoutidis, P., "Time scale decomposition in complex reaction systems: A graph theoretic analysis", Computers and Chemical Engineering 95 (2016) 17010.1016/j.compchemeng.2016.09.011

Sullivan, M. M. and Bhan, A., "Acid site densities and reactivity of oxygen-modified transition metal carbide catalysts", Journal of Catalysis 344 (2016) 5310.1016/j.jcat.2016.09.012

Bui, L., Chakrabarti, R., and Bhan, A., "Mechanistic origins of unselective oxidation products in the conversion of propylene to acrolein on Bi2Mo3O12", ACS Catalysis 6 (2016) 656710.1021/acscatal.6b01830

Kang, M. and Bhan, A., "Kinetics and mechanisms of alcohol dehydration pathways on alumina materials", Catalysis Science and Technology 6 (2016) 666710.1039/C6CY00990E

Lu, Q., Chen, C.-J., Luc, W., Chen, J. G., Bhan, A., and Jiao, F., "Ordered mesoporous metal carbides with enhanced anisole hydrodeoxygenation selectivity", ACS Catalysis 6 (2016) 350610.1021/acscatal.6b00303

Khare, R., Arora, S. S., and Bhan, A., "Implications of cofeeding acetaldehyde on ethene selectivity in methanol-to-hydrocarbons conversion on MFI and its mechanistic interpretation", ACS Catalysis 6 (2016) 231410.1021/acscatal.5b02818

Hwang, A., Prieto-Centurion, D., and Bhan, A., "Isotopic tracer studies of methanol-to-olefins conversion over HSAPO-34: The role of the olefins-based catalytic cycle", Journal of Catalysis 337 (2016) 5210.1016/j.jcat.2016.01.021

Sullivan, M. M., Chen, C.-J., and Bhan, A., "Catalytic deoxygenation on transition metal carbide catalysts", Catalysis Science and Technology 6 (2016) 60210.1039/C5CY01665G

Sullivan, M. M. and Bhan, A., "Acetone hydrodeoxygenation over bifunctional metallic-acidic molybdenum carbide catalysts", ACS Catalysis 6 (2016) 114510.1021/acscatal.5b02656

Chen, C.-J., Lee, W.-S., and Bhan, A., "Mo2C catalyzed vapor phase hydrodeoxygenation of lignin-derived phenolic compound mixtures to aromatics under ambient pressure", Applied Catalysis A: General 510 (2016) 42, 10.1016/j.apcata.2015.10.043

2015

DeWilde, J. F. and Bhan, A., "Kinetics and mechanism of ether disproportionation on γ-Al2O3", Applied Catalysis A: General 502 (2015) 36110.1016/j.apcata.2015.06.008

Lee, W.-S., Kumar, A., Wang, Z., and Bhan, A., "Chemical titration and transient kinetic studies of site requirements in Mo2C catalyzed vapor phase anisole hydrodeoxygenation", ACS Catalysis 5 (2015) 410410.1021/acscatal.5b00713

Khare, R. and Bhan, A., "Mechanistic studies of methanol-to-hydrocarbons conversion on diffusion-free MFI samples", Journal of Catalysis 329 (2015) 21810.1016/j.jcat.2015.05.012

Sullivan, M. M., Held, J., and Bhan, A., "Structure and site evolution of molybdenum carbide catalysts upon exposure to oxygen", Journal of Catalysis 326 (2015) 8210.1016/j.jcat.2015.03.011

Kang, M., DeWilde, J. F., and Bhan, A., "Kinetics and mechanism of alcohol dehydration on γ-Al2O3: Effects of carbon chain length and substitution", ACS Catalysis 5 (2015) 60210.1021/cs501471r

Khare, R., Millar, D., and Bhan, A., "A mechanistic basis for the effects of crystallite size on light olefin selectivity in methanol-to-hydrocarbons conversion on MFI", Journal of Catalysis 321 (2015) 2310.1016/j.jcat.2014.10.016

2014

DeWilde, J. F., Czopinski, C. J., and Bhan, A., "Ethanol dehydration and dehydrogenation on γ-Al2O3: Mechanism of acetaldehyde formation", ACS Catalysis 4 (2014) 442510.1021/cs501239x

Bedard, J. W., Hong, D.-Y., and Bhan, A., "C to H effective ratio as a descriptor for co-processing light oxygenates and CH4 on Mo/H-ZSM-5", RSC Advances 4 (2014) 4944610.1039/C4RA10661J

Lee, W.-S., Wang, Z., Wu, R., and Bhan, A., "Selective vapor phase hydrodeoxygenation of anisole to benzene on molybdenum carbide catalysts", Journal of Catalysis 319 (2014) 4410.1016/j.jcat.2014.07.025

Liu, D., Zhang, X., Bhan, A., and Tsapatsis, M., "Activity and selectivity differences of external Brønsted acid sites of single-unit-cell thick and conventional MFI and MWW zeolites", Microporous and Mesoporous Materials 200 (2014) 28710.1016/j.micromeso.2014.06.029

Chen, C.-J., Rangarajan, S., Hill, I. M., and Bhan, A., "Kinetics and thermochemistry of C4-C6 olefin cracking on H-ZSM-5", ACS Catalysis 4 (2014) 231910.1021/cs500119n

Lee, W.-S., Wang, Z., Zheng, W., Vlachos, D., and Bhan, A., "Vapor phase hydrodeoxygenation of furfural to 2-methylfuran on molybdenum carbide catalysts", Catalysis Science and Technology 4 (2014) 234010.1039/C4CY00286E

Xiong, K., Lee, W.-S., and Bhan, A., "Molybdenum carbide as a highly selective deoxygenation catalyst for converting furfural to 2-methylfuran", ChemSusChem 7 (2014) 214610.1002/cssc.201402033

Rangarajan, S., Kaminski, T., Van Wyk, E., Bhan A., and Daoutidis, P., "Language-oriented rule-based reaction network generation and analysis: Algorithms of RING", Computers and Chemical Engineering 64 (2014) 12410.1016/j.compchemeng.2014.02.007

Blass, S. D., Hermann, R. J., Persson, N. E., Bhan A., and Schmidt, L. D., "Conversion of glycerol to light olefins and gasoline precursors", Applied Catalysis A: General 475 (2014) 1010.1016/j.apcata.2014.01.013

Ilias, S. and Bhan, A., "The mechanism of aromatic dealkylation in methanol to hydrocarbons conversion on H-ZSM-5: What are the aromatic precursors to light olefins?", Journal of Catalysis 311 (2014) 610.1016/j.jcat.2013.11.003

Rangarajan, S., Brydon, R., Bhan, A., and Daoutidis, P., "Automated identification of energetically feasible mechanisms for complex reaction networks on heterogeneous catalysts: Application to glycerol converion on transition metals", Green Chemistry 16 (2014) 81310.1039/C3GC41386A

Rangarajan, S., Bhan, A., and Daoutidis, P., "Identification and analysis of synthesis routes in complex catalytic reaction networks for biomass upgrading", Applied Catalysis B: Environmental 145 (2014) 14910.1016/j.apcatb.2013.01.030

2013

Hill, I., Malek, A., and Bhan, A., "Kinetics and mechanism of benzene, toluene, and xylene methylation over H-MFI", ACS Catalysis 3 (2013) 199210.1021/cs400377b

Ilias, S. and Bhan A., "The mechanism of the catalytic converion of methanol-to-hydrocarbons", ACS Catalysis 3 (2013) 1810.1021/cs3006583

Blass, S. D., Bhan A., and Schmidt, L. D. "Hydroconversion of liquid hydrocarbons in a staged autothermal reactor", Applied Catalysis A: General 451 (2013) 15310.1016/j.apcata.2012.11.008

Ilias, S., Khare, R., Malek, A., and Bhan, A., "A descriptor for the relative propagation of the aromatic- and olefin-based cycles in methanol-to-hydrocarbons conversion on HZSM-5", Journal of Catalysis 303 (2013) 13510.1016/j.jcat.2013.03.021

DeWilde, J., Chiang, H., Hickman, D. A., Ho, C., and Bhan, A., "Kinetics and mechanism of ethanol dehydration on γ-Al2O3: The critical role of dimer inhibition", ACS Catalysis 3 (2013) 79710.1021/cs400051k

Bedard, J., Hong, D.-Y., and Bhan, A., "Co-processing CH4 and oxygenates on Mo/H-ZSM-5: 2. CH4/CO2 and CH4/HCOOH Mixtures", Physical Chemistry Chemical Physics 15 (2013) 12171310.1039/C3CP50855B

Mallon, E. E., Navarro, M., Jeon, M. Y., Bhan, A., and Tsapatsis, M., "Probing the relationship between Silicalite-1 defects and polyol adsorption properties", Langmuir 29 (2013) 654610.1021/la4001494

Bedard, J., Hong, D.-Y., and Bhan, A., "CH4 dehydroaromatization on Mo/H-ZSM-5: 1. Effects of co-processing H2 and CH3OOH", Journal of Catalysis 306 (2013) 5810.1016/j.jcat.2013.06.003

Bhan, A., and Tsapatsis, M., "Zeolites with nanometer diffusion lengths and implications in shape selective catalysis", Current Opinion in Chemical Engineering 2 (2013) 32010.1016/j.coche.2013.06.001

Blass, S. D., Rosenthal, C., Bhan, A., and Schmidt, L. D., "Reductive dehydration of butanone to butane over Pt/γ-Al2O3 and H-ZSM-5", Catalysis Communications 42 (2013) 5410.1016/j.catcom.2013.07.041

Mazar, M. N., Al-Hashimi, S., Cococcioni, M., and Bhan, A., "Beta-scission of olefins on acidic zeolites: A periodic PBE-D study in H-ZSM-5", Journal of Physical Chemistry C 117 (2013) 2360910.1021/jp403504n

Persson, N., Blass, S. D., Rosenthal, C., Bhan, A., and Schmidt, L. D., "On-line deoxygenation of cellulose pyrolysis vapors in a staged autothermal reactor", RSC Advances 3 (2013) 2016310.1039/C3RA43390K

2012

Roy, S., Mpourmpakis, G., Hong, D.-Y., Vlachos, D. G., Bhan, A., and Gorte, R. J., "Mechanistic study of alcohol dehydration on γ-Al2O3", ACS Catalysis 2 (2012) 184610.1021/cs300176d

Hill, I., Ng, Y. S., and Bhan, A., "Kinetics of butene methylation reactions on acidic zeolites", ACS Catalysis 2 (2012) 174210.1021/cs300317p

Rangarajan, S., Bhan, A., and Daoutidis, P., "Language-oriented rule-based reaction network generation and analysis: Descrpition of RING", Computers and Chemical Engineering 45 (2012) 11410.1016/j.compchemeng.2012.06.008

Zhang, X., Liu, D., Asahina, S., Cychosz, K., Varoon, K., Al-Wahedi, Y., Bhan, A., Al-Hashimi, S., Terasaki, O., Thommes, M., and Tsapatsis, M., "Direct synthesis of a self-pillared single unit cell zeolite", Science 336 (2012) 168410.1126/science.1221111

Ilias, S. and Bhan, A., "Tuning the selectivity of methanol-to-hydrocarbons conversion over H-ZSM-5 by co-processing olefin or aromatic compounds", Journal of Catalysis 290 (2012) 18610.1016/j.jcat.2012.03.016

Mazar, M. N., Al-Hashimi, S., Cococcioni, M., and Bhan, A., "The methylation of ethene by surface methoxides: A periodic PBE-D study across zeolites", Journal of Physical Chemistry C 116 (2012) 1938510.1021/jp306003e

Hill, I., Al-Hashimi, S., and Bhan, A., "Kinetics and mechanism of olefin methylation reactions on zeolites", Journal of Catalysis 285 (2012) 11510.1016/j.jcat.2011.09.018

2011

Skinner, M. J., Michor, E. L., Fan, W., Tsapatsis, M., Bhan, A., and Schmidt, L. D., "Ethanol dehydration to ethylene in a stratified autothermal millisecond reactor", ChemSusChem 4 (2011) 115110.1002/cssc.201100026

Mazar, M. N., Al-Hashimi, S., Bhan, A., and Cococcioni, M., "Alkane metathesis by tantalum metal hydride on ferrierite: A computational study", Journal of Physical Chemistry C 115 (2011) 1008710.1021/jp200756e

Chiang, H. and Bhan, A., "Catalytic consequences of hydroxyl group location on the kinetics of n-hexane hydroisomerization over acidic zeolites", Journal of Catalysis 283 (2011) 9810.1016/j.jcat.2011.07.006

Mallon, E. E., Babineau, I. J., Kranz, J. I., Guefrachi, Y., Siepmann, J. I, Bhan, A., and Tsapatsis, M., "Correlations for adsorption of oxygenates onto zeolites from aqueous solutions", Journal of Physical Chemistry B 115 (2011) 1143110.1021/jp208143t

Rangarajan, S., Kaminski, T., Van Wyk, E., Bhan, A., and Daoutidis, P., "Network generation and analysis of complex biomass conversion systems", Computer Aided Chemical Engineering 29 (2011) 174310.1016/B978-0-444-54298-4.50127-6

Liu, D., Bhan, A., Tsapatsis, M., and Al-Hashimi, S., "Catalytic behavior of bronsted acid sites in MWW and MFI zeolites with dual meso- and micro porosity", ACS Catalysis 1 (2011) 710.1021/cs100042r

2010

Colby, J. L, Dauenhauer, P. J., Michael, B. C., Bhan, A., and Schmidt, L. D., "Improved utilization of biomass-derived carbon by co-processing with hydrogen-rich feedstocks in millisecond reactors", Green Chemistry 12 (2010) 37810.1039/B920387G

Rangarajan, S., Bhan, A., and Daoutidis, P., "Rule-based generation of thermochemical routes to biomass conversion", Industrial and Engineering Chemical Research 49 (2010) 1045910.1021/ie100546t

Mallon, E. E., Bhan, A., and Tsapatsis, M., "Driving forces for adsorption of polyols onto zeolites from aqueous solutions", Journal of Physical Chemistry B 114 (2010) 193910.1021/jp910543r

Krishnamurthy, G., Bhan, A., and Delgass, W. N., "Identity and chemical function of gallium species inferred from microkinetic modeling studies of propane aromatization over Ga/HZSM-5 catalysts", Journal of Catalysis 271 (2010) 37010.1016/j.jcat.2010.02.026

Chiang, H. and Bhan, A., "Catalytic consequences of hydroxyl group location on the rate and mechanism of parallel dehydration reactions of ethanol over acidic zeolites", Journal of Catalysis 271 (2010) 25110.1016/j.jcat.2010.01.021

2009 and before

Bhan, A. and Delgass, W. N., "Propane aromatization over HZSM-5 and Ga/HZSM-5 catalysts", Catalysis Reviews Science and Engineering 50 (2008) 1910.1080/01614940701804745

Bhan, A. and Iglesia, E., "A link between reactivity and local structure in acid catalysis on zeolites", Accounts of Chemical Research 41 (2008) 55910.1021/ar700181t

Bhan, A., Gounder, R., Macht, J., and Iglesia, E., "Entropy considerations in monomolecular cracking of alkanes on acidic zeolites", Journal of Catalysis 253 (2008) 22110.1016/j.jcat.2007.11.003

Bhan, A., Allian, A. D., Sunley, G. J., Law, D. J., and Iglesia, E., "Specificity of sites within eight-membered ring zeolite channels for carbonylation of methyls to acetyls", Journal of the American Chemical Society 129 (2007) 491910.1021/ja070094d

Cheung, P., Bhan, A., Sunley, G. J., Law, D. J., and Iglesia, E., "Selective carbonylation of dimethyl ether to methyl acetate catalyzed by acidic zeolites", Angewandte Chemie International Edition 45 (2006) 161710.1002/anie.200503898

Bhan, A., Hsu, S-H, Venkatasubramanian, V., Caruthers, J. M., and Delgass, W. N., "Microkinetic modeling of propane aromatization over HZSM-5", Journal of Catalysis 235 (2005) 3510.1016/j.jcat.2005.07.005

Joshi, Y. V., Bhan, A., and Thomson, K. T., "DFT-based reaction pathway analysis of hexadiene cyclization via carbenium ion intermediates: Mechanistic study of light alkane aromatization catalysis", Journal of Physical Chemistry B 108 (2004) 97110.1021/jp036205m

Katare, S., Bhan, A., Caruthers, J. M., Delgass, W. N., and Venkatasubramanian, V., "A hybrid genetic algorithm for efficient parameter estimation of large kinetic models", Computers and Chemical Engineering 28 (2004) 256910.1016/j.compchemeng.2004.07.002

Bhan, A., Joshi, Y. V., Delgass, W. N., and Thomson, K. T., "DFT Investigation of alkoxide formation from olefins in HZSM-5", Journal of Physical Chemistry B, 107 (2003) 1047610.1021/jp034382h

Caruthers, J. M., Lauterbach, J. A., Thomson, K. T., Venkatasubramanian, V., Snively, C. M., Bhan, A., Katare, S., and Oskarsdottir, G., "Catalyst design: Knowledge extraction from high-throughput experimentation", Journal of Catalysis 216 (2003) 9810.1016/S0021-9517(02)00036-2