16 results on '"Snurr, Randall Q."'
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2. Theoretical insights into direct methane to methanol conversion over supported dicopper oxo nanoclusters
3. Catalytic descriptors and electronic properties of single-site catalysts for ethene dimerization to 1-butene
4. Elucidating steric effects on enantioselective epoxidation catalyzed by (salen)Mn in metal-organic frameworks
5. Towards rapid computational screening of metal-organic frameworks for carbon dioxide capture: Calculation of framework charges via charge equilibration
6. Quantum chemical determination of stable intermediates for alkene epoxidation with Mn-porphyrin catalysts
7. A DFT study of adsorption of intermediates in the NO x reduction pathway over BaNaY zeolites
8. Molecular simulation of adsorption sites of light gases in the metal-organic framework IRMOF-1
9. Vapor permeation studies of membranes made from molecular squares
10. Applications of molecular modeling in heterogeneous catalysis research
11. Is 1-hexene epoxidation in TS-1 diffusion limited in different solvents?
12. Diffusion of methane and other alkanes in metal-organic frameworks for natural gas storage.
13. A DFT study of adsorption of intermediates in the NO x reduction pathway over BaNaY zeolites
14. Transmission probabilities and particle–wall contact for Knudsen diffusion in pores of variable diameter
15. Impact of the strength and spatial distribution of adsorption sites on methane deliverable capacity in nanoporous materials.
16. A computational study of the adsorption of n-perfluorohexane in zeolite BCR-704.
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