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336 积分 2025-11-19 加入
Machine Learning for Gas Adsorption in Metal–Organic Frameworks: A Review on Predictive Descriptors
7天前
已完结
Engineering strategies and structural-property relationships of metal-organic frameworks (MOFs) toward enhanced CO₂ adsorption
9天前
已完结
Parameter determination for the charge equilibration method including third- and fourth-order terms applied to non-metallic compounds
26天前
已完结
Split charge equilibration method with correct dissociation limits
26天前
已完结
Split-Charge Equilibration Parameters for Generating Rapid Partial Atomic Charges in Metal–Organic Frameworks and Porous Polymer Networks for High-Throughput Screening
26天前
已完结
Fast and Accurate Electrostatics in Metal Organic Frameworks with a Robust Charge Equilibration Parameterization for High-Throughput Virtual Screening of Gas Adsorption
26天前
已完结
Data-driven design of metal–organic frameworks for wet flue gas CO2 capture
28天前
已完结
Identification of Metal–Organic Frameworks for near Practical Energy Limit CO₂ Capture from Wet Flue Gases: An Integrated Atomistic and Process Simulation Screening of Experimental MOFs
29天前
已完结
Discovering Ultra-Stable Metal–Organic Frameworks for CO₂ Capture from A Wet Flue Gas: Integrating Machine Learning and Molecular Simulation
29天前
已完结
Discovering Ultra-Stable Metal–Organic Frameworks for CO₂ Capture from A Wet Flue Gas: Integrating Machine Learning and Molecular Simulation
29天前
已完结
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