| Review and analysis of molecular simulations of methane, hydrogen, and acetylene storage in metal–organic frameworks RB Getman, YS Bae, CE Wilmer, RQ Snurr Chemical reviews 112 (2), 703-723, 2012 | 1313 | 2012 |
| Thermodynamics of environment-dependent oxygen chemisorption on Pt (111) RB Getman, Y Xu, WF Schneider The Journal of Physical Chemistry C 112 (26), 9559-9572, 2008 | 227 | 2008 |
| Metal alkoxide functionalization in metal− organic frameworks for enhanced ambient-temperature hydrogen storage RB Getman, JH Miller, K Wang, RQ Snurr The Journal of Physical Chemistry C 115 (5), 2066-2075, 2011 | 148 | 2011 |
| Oxygen-coverage effects on molecular dissociations at a Pt metal surface RB Getman, WF Schneider, AD Smeltz, WN Delgass, FH Ribeiro Physical review letters 102 (7), 076101, 2009 | 138 | 2009 |
| DFT‐based coverage‐dependent model of Pt‐catalyzed NO oxidation RB Getman, WF Schneider ChemCatChem 2 (11), 1450-1460, 2010 | 129 | 2010 |
| DFT-based characterization of the multiple adsorption modes of nitrogen oxides on Pt (111) RB Getman, WF Schneider The Journal of Physical Chemistry C 111 (1), 389-397, 2007 | 123 | 2007 |
| Coupled theoretical and experimental analysis of surface coverage effects in Pt-catalyzed NO and O2 reaction to NO2 on Pt (1 1 1) AD Smeltz, RB Getman, WF Schneider, FH Ribeiro Catalysis Today 136 (1-2), 84-92, 2008 | 119 | 2008 |
| Sinter‐resistant platinum catalyst supported by metal–organic framework IS Kim, Z Li, J Zheng, AE Platero‐Prats, A Mavrandonakis, S Pellizzeri, ... Angewandte Chemie International Edition 57 (4), 909-913, 2018 | 113 | 2018 |
| Machine learning accelerates the discovery of design rules and exceptions in stable metal–oxo intermediate formation A Nandy, J Zhu, JP Janet, C Duan, RB Getman, HJ Kulik Acs Catalysis 9 (9), 8243-8255, 2019 | 94 | 2019 |
| Stepwise adsorption in a mesoporous metal–organic framework: experimental and computational analysis D Yuan, RB Getman, Z Wei, RQ Snurr, HC Zhou Chemical Communications 48 (27), 3297-3299, 2012 | 80 | 2012 |
| Optimizing open iron sites in metal–organic frameworks for ethane oxidation: a first-principles study P Liao, RB Getman, RQ Snurr ACS applied materials & interfaces 9 (39), 33484-33492, 2017 | 64 | 2017 |
| A first-principles investigation of the effect of Pt cluster size on CO and NO oxidation intermediates and energetics Y Xu, RB Getman, WA Shelton, WF Schneider Physical Chemistry Chemical Physics 10 (39), 6009-6018, 2008 | 62 | 2008 |
| Free energies of catalytic species adsorbed to Pt (111) surfaces under liquid solvent calculated using classical and quantum approaches X Zhang, RS DeFever, S Sarupria, RB Getman Journal of chemical information and modeling 59 (5), 2190-2198, 2019 | 58 | 2019 |
| Molecular-Level Details about Liquid H2O Interactions with CO and Sugar Alcohol Adsorbates on Pt(111) Calculated Using Density Functional Theory and … CJ Bodenschatz, S Sarupria, RB Getman The Journal of Physical Chemistry C 119 (24), 13642-13651, 2015 | 57 | 2015 |
| On the water structure at hydrophobic interfaces and the roles of water on transition-metal catalyzed reactions: A short review X Zhang, TE Sewell, B Glatz, S Sarupria, RB Getman Catalysis Today 285, 57-64, 2017 | 45 | 2017 |
| Insights into the roles of water on the aqueous phase reforming of glycerol T Xie, CJ Bodenschatz, RB Getman Reaction Chemistry & Engineering 4 (2), 383-392, 2019 | 40 | 2019 |
| Site densities, rates, and mechanism of stable Ni/UiO-66 ethylene oligomerization catalysts B Yeh, SP Vicchio, S Chheda, J Zheng, J Schmid, L Lobbert, ... Journal of the American Chemical Society 143 (48), 20274-20280, 2021 | 37 | 2021 |
| A DFT and MD study of aqueous-phase dehydrogenation of glycerol on Pt (1 1 1): comparing chemical accuracy versus computational expense in different methods for calculating … T Xie, S Sarupria, RB Getman Molecular Simulation 43 (5-6), 370-378, 2017 | 32 | 2017 |
| Impact of Hydrogen Bonds on CO2 Binding in Eutectic Solvents: An Experimental and Computational Study toward Sorbent Design for CO2 Capture A Klemm, SP Vicchio, S Bhattacharjee, E Cagli, Y Park, M Zeeshan, ... ACS Sustainable Chemistry & Engineering 11 (9), 3740-3749, 2023 | 28 | 2023 |
| Design strategies for metal alkoxide functionalized metal–organic frameworks for ambient temperature hydrogen storage SK Brand, YJ Colón, RB Getman, RQ Snurr Microporous and mesoporous materials 171, 103-109, 2013 | 28 | 2013 |
