MO1.R3: Computational Chemistry and Catalysis, Data Science, ML II
Mon, 17 Feb, 10:45 - 11:45 CT (UTC -6)
Location: Room 3
Session Type: Oral
Track: Computational Chemistry and Catalysis, Data Science, and AI/ML in Reaction Engineering
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Mon, 17 Feb, 10:45 - 11:05 CT (UTC -6)
MO1.R3.1: COMPUTATIONAL INSIGHTS INTO THE ADSORPTION BEHAVIOR OF H2 AND CO2 ON CU AND ZNO SURFACES FOR METHANOL SYNTHESIS
Mon, 17 Feb, 11:05 - 11:25 CT (UTC -6)
MO1.R3.2: First principles insights into effect of charge condensation on water gas shift reaction mechanism
Mon, 17 Feb, 11:25 - 11:45 CT (UTC -6)