Year |
Citation |
Score |
2021 |
Marsden G, Kostetskyy P, Sekiya RS, Hoffman A, Lee S, Gounder R, Hibbitts D, Broadbelt LJ. Quantifying Effects of Active Site Proximity on Rates of Methanol Dehydration to Dimethyl Ether over Chabazite Zeolites through Microkinetic Modeling. Acs Materials Au. 2: 163-175. PMID 36855771 DOI: 10.1021/acsmaterialsau.1c00057 |
0.787 |
|
2020 |
Hoffman AJ, Bates JS, Di Iorio JR, Nystrom SV, Nimlos CT, Gounder R, Hibbitts D. Rigid Arrangements of Ionic Charge in Zeolite Frameworks Conferred by Specific Al Distributions Preferentially Stabilize Alkanol Dehydration Transition States. Angewandte Chemie (International Ed. in English). PMID 32659034 DOI: 10.1002/Anie.202007790 |
0.77 |
|
2020 |
Allen MC, Hoffman AJ, Liu T, Webber MS, Hibbitts D, Schwartz TJ. Highly Selective Cross-Etherification of 5-Hydroxymethylfurfural with Ethanol Acs Catalysis. 10: 6771-6785. DOI: 10.1021/Acscatal.0C01328 |
0.67 |
|
2020 |
Almithn AS, Hibbitts DD. Impact of Metal and Heteroatom Identities in the Hydrogenolysis of C–X Bonds (X = C, N, O, S, and Cl) Acs Catalysis. 10: 5086-5100. DOI: 10.1021/acscatal.0c00481 |
0.774 |
|
2019 |
Witzke ME, Almithn AS, Coonrod CL, Triezenberg MD, Hibbitts DD, Flaherty DW. In situ Methods for Identifying Reactive Surface Intermediates during Hydrogenolysis Reactions: C-O Bond Cleavage on Nanoparticles of Nickel and Nickel Phosphides. Journal of the American Chemical Society. PMID 31557006 DOI: 10.1021/Jacs.9B06112 |
0.793 |
|
2019 |
DeLuca M, Kravchenko P, Hoffman A, Hibbitts D. Mechanism and Kinetics of Methylating C6–C12 Methylbenzenes with Methanol and Dimethyl Ether in H-MFI Zeolites Acs Catalysis. 9: 6444-6460. DOI: 10.1021/Acscatal.9B00650 |
0.741 |
|
2019 |
Hoffman A, DeLuca M, Hibbitts D. Restructuring of MFI Framework Zeolite Models and Their Associated Artifacts in Density Functional Theory Calculations The Journal of Physical Chemistry C. 123: 6572-6585. DOI: 10.1021/Acs.Jpcc.8B12230 |
0.72 |
|
2019 |
Almithn A, Hibbitts D. Comparing Rate and Mechanism of Ethane Hydrogenolysis on Transition-Metal Catalysts The Journal of Physical Chemistry C. 123: 5421-5432. DOI: 10.1021/Acs.Jpcc.8B11070 |
0.773 |
|
2019 |
García-Diéguez M, Hibbitts DD, Iglesia E. Hydrogen Chemisorption Isotherms on Platinum Particles at Catalytic Temperatures: Langmuir and Two-Dimensional Gas Models Revisited The Journal of Physical Chemistry C. 123: 8447-8462. DOI: 10.1021/Acs.Jpcc.8B10877 |
0.519 |
|
2019 |
Di Iorio JR, Hoffman AJ, Nimlos CT, Nystrom S, Hibbitts D, Gounder R. Mechanistic origins of the high-pressure inhibition of methanol dehydration rates in small-pore acidic zeolites Journal of Catalysis. 380: 161-177. DOI: 10.1016/J.Jcat.2019.10.012 |
0.774 |
|
2018 |
Cordon MJ, Harris JW, Vega-Vila JC, Bates JS, Kaur S, Gupta M, Witzke ME, Wegener EC, Miller JT, Flaherty DW, Hibbitts DD, Gounder R. The Dominant Role of Entropy in Stabilizing Sugar Isomerization Transition States within Hydrophobic Zeolite Pores. Journal of the American Chemical Society. PMID 30265002 DOI: 10.1021/Jacs.8B08336 |
0.743 |
|
2018 |
Nystrom S, Hoffman A, Hibbitts D. Tuning Brønsted Acid Strength by Altering Site Proximity in CHA Framework Zeolites Acs Catalysis. 8: 7842-7860. DOI: 10.1021/Acscatal.8B02049 |
0.721 |
|
2018 |
Almithn A, Hibbitts D. Effects of Catalyst Model and High Adsorbate Coverages in ab Initio Studies of Alkane Hydrogenolysis Acs Catalysis. 8: 6375-6387. DOI: 10.1021/Acscatal.8B01114 |
0.794 |
|
2018 |
Witzke ME, Almithn A, Coonrod CL, Hibbitts DD, Flaherty DW. Mechanisms and Active Sites for C–O Bond Rupture within 2-Methyltetrahydrofuran over Ni, Ni12P5, and Ni2P Catalysts Acs Catalysis. 8: 7141-7157. DOI: 10.1021/Acscatal.7B04403 |
0.788 |
|
2018 |
Almithn AS, Hibbitts DD. Supra-monolayer coverages on small metal clusters and their effects on H2
chemisorption particle size estimates Aiche Journal. 64: 3109-3120. DOI: 10.1002/AIC.16110 |
0.758 |
|
2017 |
Liu J, Hibbitts D, Iglesia E. Dense CO Adlayers as Enablers of CO Hydrogenation Turnovers on Ru Surfaces. Journal of the American Chemical Society. PMID 28825476 DOI: 10.1021/Jacs.7B04606 |
0.571 |
|
2017 |
Neurock M, Tao Z, Chemburkar A, Hibbitts DD, Iglesia E. Theoretical insights into the sites and mechanisms for base catalyzed esterification and aldol condensation reactions over Cu. Faraday Discussions. PMID 28332665 DOI: 10.1039/C6Fd00226A |
0.795 |
|
2016 |
Hibbitts DD, Flaherty DW, Iglesia E. Role of Branching on the Rate and Mechanism of C-C Cleavage in Alkanes on Metal Surfaces Acs Catalysis. 6: 469-482. DOI: 10.1021/Acscatal.5B01950 |
0.738 |
|
2016 |
Hibbitts DD, Flaherty DW, Iglesia E. Effects of Chain Length on the Mechanism and Rates of Metal-Catalyzed Hydrogenolysis of n-Alkanes Journal of Physical Chemistry C. 120: 8125-8138. DOI: 10.1021/Acs.Jpcc.6B00323 |
0.732 |
|
2016 |
Hibbitts D, Neurock M. Promotional effects of chemisorbed oxygen and hydroxide in the activation of C–H and O–H bonds over transition metal surfaces Surface Science. 650: 210-220. DOI: 10.1016/J.Susc.2016.01.012 |
0.634 |
|
2016 |
Hibbitts D, Dybeck E, Lawlor T, Neurock M, Iglesia E. Preferential activation of CO near hydrocarbon chains during Fischer-Tropsch synthesis on Ru Journal of Catalysis. 337: 91-101. DOI: 10.1016/J.Jcat.2016.01.010 |
0.652 |
|
2015 |
Gürbüz EI, Hibbitts DD, Iglesia E. Kinetic and Mechanistic Assessment of Alkanol/Alkanal Decarbonylation and Deoxygenation Pathways on Metal Catalysts. Journal of the American Chemical Society. 137: 11984-95. PMID 26356575 DOI: 10.1021/Jacs.5B05361 |
0.554 |
|
2015 |
Hibbitts D, Iglesia E. Prevalence of Bimolecular Routes in the Activation of Diatomic Molecules with Strong Chemical Bonds (O2, NO, CO, N2) on Catalytic Surfaces. Accounts of Chemical Research. 48: 1254-62. PMID 25921328 DOI: 10.1021/Acs.Accounts.5B00063 |
0.638 |
|
2015 |
Hibbitts D, Iglesia E. Prevalence of bimolecular routes in the activation of diatomic molecules with strong chemical bonds (O2, NO, CO, N2) on catalytic surfaces Accounts of Chemical Research. 48: 1254-1262. DOI: 10.1021/acs.accounts.5b00063 |
0.507 |
|
2015 |
Hibbitts D, Iglesia E. ChemInform Abstract: Chemical Bonds (O2, NO, CO, N2) on Catalytic Surfaces Cheminform. 46: no-no. DOI: 10.1002/chin.201528269 |
0.514 |
|
2014 |
Flaherty DW, Hibbitts DD, Iglesia E. Metal-catalyzed C-C bond cleavage in alkanes: effects of methyl substitution on transition-state structures and stability. Journal of the American Chemical Society. 136: 9664-76. PMID 24961991 DOI: 10.1021/Ja5037429 |
0.712 |
|
2014 |
Flaherty DW, Hibbitts DD, Iglesia E. Metal-catalyzed C-C bond cleavage in alkanes: Effects of methyl substitution on transition-state structures and stability Journal of the American Chemical Society. 136: 9664-9676. DOI: 10.1021/ja5037429 |
0.705 |
|
2014 |
Hibbitts DD, Jiménez R, Yoshimura M, Weiss B, Iglesia E. Catalytic NO activation and NO-H2 reaction pathways Journal of Catalysis. 319: 95-109. DOI: 10.1016/J.Jcat.2014.07.012 |
0.719 |
|
2014 |
Hibbitts D, Tan Q, Neurock M. Acid strength and bifunctional catalytic behavior of alloys comprised of noble metals and oxophilic metal promoters Journal of Catalysis. 315: 48-58. DOI: 10.1016/J.Jcat.2014.03.016 |
0.551 |
|
2014 |
Flaherty DW, Hibbitts DD, Gürbüz EI, Iglesia E. Theoretical and kinetic assessment of the mechanism of ethane hydrogenolysis on metal surfaces saturated with chemisorbed hydrogen Journal of Catalysis. 311: 350-356. DOI: 10.1016/J.Jcat.2013.11.026 |
0.749 |
|
2013 |
Hibbitts DD, Loveless BT, Neurock M, Iglesia E. Mechanistic role of water on the rate and selectivity of Fischer-Tropsch synthesis on ruthenium catalysts. Angewandte Chemie (International Ed. in English). 52: 12273-8. PMID 24123803 DOI: 10.1002/Anie.201304610 |
0.775 |
|
2013 |
Hibbitts DD, Neurock M. Influence of oxygen and pH on the selective oxidation of ethanol on Pd catalysts Journal of Catalysis. 299: 261-271. DOI: 10.1016/J.Jcat.2012.11.016 |
0.533 |
|
2013 |
Braunchweig B, Hibbitts D, Neurock M, Wieckowski A. Electrocatalysis: A direct alcohol fuel cell and surface science perspective Catalysis Today. 202: 197-209. DOI: 10.1016/J.Cattod.2012.08.013 |
0.503 |
|
2011 |
Chia M, Pagán-Torres YJ, Hibbitts D, Tan Q, Pham HN, Datye AK, Neurock M, Davis RJ, Dumesic JA. Selective hydrogenolysis of polyols and cyclic ethers over bifunctional surface sites on rhodium-rhenium catalysts. Journal of the American Chemical Society. 133: 12675-89. PMID 21736345 DOI: 10.1021/Ja2038358 |
0.674 |
|
2010 |
Zope BN, Hibbitts DD, Neurock M, Davis RJ. Reactivity of the gold/water interface during selective oxidation catalysis. Science (New York, N.Y.). 330: 74-8. PMID 20929807 DOI: 10.1126/Science.1195055 |
0.553 |
|
2009 |
Hummelshøj JS, Landis DD, Voss J, Jiang T, Tekin A, Bork N, Du?ak M, Mortensen JJ, Adamska L, Andersin J, Baran JD, Barmparis GD, Bell F, Bezanilla AL, Bjork J, ... ... Hibbitts D, et al. Density functional theory based screening of ternary alkali-transition metal borohydrides: a computational material design project. The Journal of Chemical Physics. 131: 014101. PMID 19586090 DOI: 10.1063/1.3148892 |
0.334 |
|
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