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1. CHEM 870 Tutorial 6b: Binding Energy, DFT, and CO2 Capture II

   Online Presentations | 04 Sep 2022 | Contributor(s):: Nicole Adelstein

   The main goal of these activities is to calculate the binding energy of CO2 to linker molecules in metal organic frameworks (MOFs). CO2 is a greenhouse gas. One necessary component of combating climate change is removing CO2 from the atmosphere. We will use density functional theory (DFT)...

2. CHEM 870 Tutorial 6a: Binding Energy, DFT, and CO2 Capture I

   Online Presentations | 20 Dec 2021 | Contributor(s):: Nicole Adelstein

   The main goal of these activities is to calculate the binding energy of CO2 to linker molecules in metal organic frameworks (MOFs). CO2 is a greenhouse gas. One necessary component of combating climate change is removing CO2 from the atmosphere. We will use density functional theory (DFT)...