| 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 | 1264 | 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 | 221 | 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 | 143 | 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 | 131 | 2009 |
| DFT‐based coverage‐dependent model of Pt‐catalyzed NO oxidation RB Getman, WF Schneider ChemCatChem 2 (11), 1450-1460, 2010 | 124 | 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 | 120 | 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 | 115 | 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 | 107 | 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 | 83 | 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 | 76 | 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 | 59 | 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 | 59 | 2008 |
| 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 | 53 | 2015 |
| 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 | 44 | 2019 |
| 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 | 42 | 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 | 35 | 2019 |
| 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 | 28 | 2017 |
| 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 | 27 | 2021 |
| 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 | 26 | 2013 |
| A zwitterionic metal–organic framework with free carboxylic acid sites that exhibits enhanced hydrogen adsorption energies MB Lalonde, RB Getman, JY Lee, JM Roberts, AA Sarjeant, KA Scheidt, ... CrystEngComm 15 (45), 9408-9414, 2013 | 25 | 2013 |
