ARC–MOF: A Diverse Database of Metal-Organic Frameworks with DFT
Por um escritor misterioso
Last updated 22 outubro 2024
PDF) Recent advances in computational modeling of MOFs: From molecular simulations to machine learning
Revisiting the MIL-101 metal–organic framework: design, synthesis, modifications, advances, and recent applications - Journal of Materials Chemistry A (RSC Publishing) DOI:10.1039/D1TA06238G
Integrating stability metrics with high-throughput computational screening of metal–organic frameworks for CO2 capture
Recent trends on density functional theory–assisted calculations of structures and properties of metal–organic frameworks and metal–organic frameworks-derived nanocarbons, Journal of Materials Research
Expanding Linker Dimensionality in Metal‐organic Frameworks for sub‐Ångstrom Pore Control for Separation Applications - Macreadie - 2023 - Angewandte Chemie International Edition - Wiley Online Library
The Chemistry of Metal-Organic Framework Materials Virtual Issue
Capturing snapshots of post-synthetic metallation chemistry in metal–organic frameworks
Expanding Linker Dimensionality in Metal‐organic Frameworks for sub‐Ångstrom Pore Control for Separation Applications - Macreadie - 2023 - Angewandte Chemie International Edition - Wiley Online Library
ARC–MOF: A Diverse Database of Metal-Organic Frameworks with DFT-Derived Partial Atomic Charges and Descriptors for Machine Learning
PDF) Inverse design of metal-organic frameworks for direct air capture of CO2 via deep reinforcement learning
Recent advances in computational modeling of MOFs: From molecular simulations to machine learning - ScienceDirect
A database of ultrastable MOFs reassembled from stable fragments with machine learning models - ScienceDirect
Ultrathin water-stable metal-organic framework membranes for ion separation
Nanoengineering Metal–Organic Frameworks and Derivatives for Electrosynthesis of Ammonia
ARC–MOF: A Diverse Database of Metal-Organic Frameworks with DFT-Derived Partial Atomic Charges and Descriptors for Machine Learning
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