Rapid Screening of Metal–Organic Frameworks for Propane/Propylene Separation by Synergizing Molecular Simulation and Machine Learning

Digital navigation of energy–structure–function maps for hydrogen-bonded porous molecular crystals

(2021) Chengxi Zhao et al.   Nature Communications

Metal–Organic Frameworks for Xylene Separation: From Computational Screening to Machine Learning

(2021) Zhiwei Qiao et al.   Journal of Physical Chemistry C

Propane-Trapping Ultramicroporous Metal–Organic Framework in the Low-Pressure Area toward the Purification of Propylene

(2021) Shan-Qing Yang et al.   ACS Applied Materials & Interfaces

Pore-Space Partition and Optimization for Propane-Selective High-Performance Propane/Propylene Separation

(2021) Anh N. Hong et al.   ACS Applied Materials & Interfaces

Propane-Selective Design of Zirconium-Based MOFs for Propylene Purification

(2020) Sa Wang et al.   CHEMICAL ENGINEERING SCIENCE

Understanding the diversity of the metal-organic framework ecosystem

(2020) Seyed Mohamad Moosavi et al.   Nature Communications

In silico screening and design strategies of ethane‐selective metal–organic frameworks for ethane/ethylene separation

(2020) Hongjian Tang et al.   AICHE JOURNAL

An Ultramicroporous Metal–Organic Framework for High Sieving Separation of Propylene from Propane

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Capturing chemical intuition in synthesis of metal-organic frameworks

(2019) Seyed Mohamad Moosavi et al.   Nature Communications

A Robust Ethane-Trapping Metal–Organic Framework with a High Capacity for Ethylene Purification

(2019) Omid T. Qazvini et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Metal–Organic Framework Materials for the Separation and Purification of Light Hydrocarbons

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Advances, Updates, and Analytics for the Computation-Ready, Experimental Metal–Organic Framework Database: CoRE MOF 2019

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Polycatenated Molecular Cage-Based Propane Trap for Propylene Purification with Recorded Selectivity

(2019) Lifeng Yang et al.   ACS Applied Materials & Interfaces

Competitive Binding of Ethylene, Water, and Carbon Monoxide in Metal–Organic Framework Materials with Open Cu Sites

(2018) Wenqin You et al.   Journal of Physical Chemistry C

Improving the Mechanical Stability of Metal–Organic Frameworks Using Chemical Caryatids

(2018) Seyed Mohamad Moosavi et al.   ACS Central Science

Boosting Ethane/Ethylene Separation within Isoreticular Ultramicroporous Metal–Organic Frameworks

(2018) Rui-Biao Lin et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Tailor-Made Microporous Metal-Organic Frameworks for the Full Separation of Propane from Propylene Through Selective Size Exclusion

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Ethane/ethylene separation in a metal-organic framework with iron-peroxo sites

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Resolving Transition Metal Chemical Space: Feature Selection for Machine Learning and Structure–Property Relationships

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High-Throughput Computational Screening of Multivariate Metal–Organic Frameworks (MTV-MOFs) for CO2 Capture

(2017) Song Li et al.   Journal of Physical Chemistry Letters

Force-Field Prediction of Materials Properties in Metal-Organic Frameworks

(2017) Peter G. Boyd et al.   Journal of Physical Chemistry Letters

Computational screening of MOFs for C 2 H 6 /C 2 H 4 and C 2 H 6 /CH 4 separations

(2016) Cigdem Altintas et al.   CHEMICAL ENGINEERING SCIENCE

Ethane selective adsorbent Ni(bdc)(ted)0.5 with high uptake and its significance in adsorption separation of ethane and ethylene

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Evaluating topologically diverse metal–organic frameworks for cryo-adsorbed hydrogen storage

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Extension of the Universal Force Field for Metal–Organic Frameworks

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RASPA: molecular simulation software for adsorption and diffusion in flexible nanoporous materials

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Machine learning: Trends, perspectives, and prospects

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Microporous metal–organic framework with dual functionalities for highly efficient removal of acetylene from ethylene/acetylene mixtures

(2015) Tong-Liang Hu et al.   Nature Communications

Efficient purification of ethene by an ethane-trapping metal-organic framework

(2015) Pei-Qin Liao et al.   Nature Communications

Extension of the Universal Force Field to Metal–Organic Frameworks

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Hydrocarbon Separations in a Metal-Organic Framework with Open Iron(II) Coordination Sites

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Algorithms and tools for high-throughput geometry-based analysis of crystalline porous materials

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Large-scale screening of hypothetical metal–organic frameworks

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