| 1 |
Machine learning for heterogeneous catalyst design and discovery
Goldsmith BR, Esterhuizen J, Liu JX, Bartel CJ, Sutton C
AIChE Journal, 64(7), 2311, 2018 |
| 2 |
Catalytic descriptors and electronic properties of single-site catalysts for ethene dimerization to 1-butene
Pellizzeri S, Barona M, Bernales V, Miro P, Liao PL, Gagliardi L, Snurr RQ, Getman RB
Catalysis Today, 312, 149, 2018 |
| 3 |
On the water structure at hydrophobic interfaces and the roles of water on transition-metal catalyzed reactions: A short review
Zhang XH, Sewell TE, Glatz B, Sarupria S, Getman RB
Catalysis Today, 285, 57, 2017 |
| 4 |
Mechanistic study for enhanced CO oxidation activity on (Mn,Fe) co-doped CeO2(111)
Kim K, Han JW
Catalysis Today, 293, 82, 2017 |
| 5 |
New Paradigms and Future Critical Directions in Heterogeneous Catalysis and Multifunctional Reactors
Gogate MR
Chemical Engineering Communications, 204(1), 1, 2017 |
| 6 |
Hybrid Density Functionals Applied to Complex Solid Catalysts: Successes, Limitations, and Prospects
Paier J
Catalysis Letters, 146(5), 861, 2016 |
| 7 |
Using Gas-Phase Clusters to Screen Porphyrin-Supported Nanocluster Catalysts for Ethane Oxidation to Ethanol
Pellizzeri S, Jones IA, Doan HA, Snurr RQ, Getman RB
Catalysis Letters, 146(12), 2566, 2016 |
| 8 |
Degree of rate control approach to computational catalyst screening
Wolcott CA, Medford AJ, Studt F, Campbell CT
Journal of Catalysis, 330, 197, 2015 |
| 9 |
Microstructure control of magnesium dichloride crystallites by electron donors: The effect of methanol
Turunen A, Linnolahti M, Karttunen VA, Pakkanen TA, Denifl P, Leinonen T
Journal of Molecular Catalysis A-Chemical, 334(1-2), 103, 2011 |
| 10 |
Theoretical study of Au/SAPO-11 catalyst and its potential use in thiophene HDS
Griffe B, Brito JL, Sierraalta A
Journal of Molecular Catalysis A-Chemical, 315(1), 28, 2010 |
