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Li Research Group Computational Chemistry Lab

Quantum Mechanics

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Title	PostDate
Catalytic Hydrogenation of Furfural into Tetrahydrofurfuryl Alcohol Under Ambient Conditions	2024-09-23
Automating Reaction Kinetics with Arkane – A New Tool for Chemical Kinetics and Thermochemistry	2024-09-23
Mixed-Linker Strategy Improves Structural Stability of Metal-Organic Framework Membranes for Gas Separation	2024-09-23
Fast Water Transport Mechanism Unveiled in UTSA-280 Metal-Organic Framework	2024-09-23
Machine Learning and DFT Unlock New Insights into Cerium Oxide Catalysts	2024-09-23
Biomass-Derived Furan Oligomers Show Promise for Next-Generation Electrochromic Devices	2024-09-23
Enhanced QM/MM Simulations for Accurate Modeling of Adsorption and Catalysis in Zr-Based MOFs	2024-09-23
Innovative Catalytic System for Reductive Amination of Furfural and Furfurylamine	2024-09-23
Advanced Copper-Based Electrocatalysts for Efficient Nitrate Reduction to Ammonia	2024-09-23
Simulation-Driven Insights into the Role of Ammonium-Amine Additives in Perovskite Solar Cells	2024-09-23