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RESEARCH PAPER · ACS Applied Materials & Interfaces · 2019

Comment on “Database for CO 2 Separation Performances of MOFs Based on Computational Materials Screening”

Pezhman Zarabadi–Poor, Radek Marek

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12 direct citing papers in this saved network. Explore the next layer with second-order citations.

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Comment on “Database for CO 2 Separation Performances of MOFs Based on Computational Materials Screening”OriginalThe role of molecular modelling and simulation in the discovery and deployment of metal-organic frameworks for gas storage and separation123In Silico Investigation into H2 Uptake in MOFs: Combined Text/Data Mining and Structural Calculations11Enabling efficient exploration of metal–organic frameworks in the Cambridge Structural Database67High-Performance, Free-Standing Symmetric Hybrid Membranes for Osmotic Separation8Machine learning the quantum-chemical properties of metal–organic frameworks for accelerated materials discovery538Data-Driven Matching of Experimental Crystal Structures and Gas Adsorption Isotherms of Metal–Organic Frameworks24A novel electrochemical biosensor based on MIL-101-NH2 (Cr) combining target-responsive releasing and self-catalysis strategy for p53 detection110Progress toward the computational discovery of new metal–organic framework adsorbents for energy applications203MEPO-ML: a robust graph attention network model for rapid generation of partial atomic charges in metal-organic frameworks31High Structural Error Rates in “Computation-Ready” MOF Databases Discovered by Checking Metal Oxidation States33Recent advances in computational screening of metal-organic frameworks for carbon capture6Photodegradation of bisphenol-A in a wavelength-optimized quaternary system using a Cu-MOF with test-strip-based Cd( ii ) detection and DFT insights2

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  1. The role of molecular modelling and simulation in the discovery and deployment of metal-organic frameworks for gas storage and separation

    Molecular Simulation · 2019-08-08

    Árni Sturluson, Melanie T. Huynh, Alec R. Kaija, Caleb Laird, Sunghyun Yoon, Feier Hou, Zhenxing Feng, Christopher E. Wilmer, Yamil J. Colón, Yongchul G. Chung, Daniel W. Siderius, Cory M. Simon

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  2. In Silico Investigation into H2 Uptake in MOFs: Combined Text/Data Mining and Structural Calculations

    Langmuir · 2019-12-19

    Ömer Tayfuroğlu, Abdulkadır Kocak, Yunus Zorlu

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  3. Enabling efficient exploration of metal–organic frameworks in the Cambridge Structural Database

    CrystEngComm · 2020-01-01

    Aurelia Li, Rocío Bueno-Pérez, Seth B. Wiggin, David Fairen‐Jiménez

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  4. High-Performance, Free-Standing Symmetric Hybrid Membranes for Osmotic Separation

    ACS Applied Materials & Interfaces · 2021-02-12

    Zhi Geng, Shiqiang Liang, Meng Sun, Chuhan Liu, Nan He, Xia Yang, Xiaochun Cui, Wei Fan, Xianze Wang, Yang Huo

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  5. Machine learning the quantum-chemical properties of metal–organic frameworks for accelerated materials discovery

    Matter · 2021-04-05

    Andrew Rosen, Shaelyn M. Iyer, Debmalya Ray, Zhenpeng Yao, Alán Aspuru‐Guzik, Laura Gagliardi, Justin M. Notestein, Randall Q. Snurr

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  6. Data-Driven Matching of Experimental Crystal Structures and Gas Adsorption Isotherms of Metal–Organic Frameworks

    Journal of Chemical & Engineering Data · 2022-02-17

    Daniele Ongari, Leopold Talirz, Kevin Maik Jablonka, Daniel W. Siderius, Berend Smit

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  7. A novel electrochemical biosensor based on MIL-101-NH2 (Cr) combining target-responsive releasing and self-catalysis strategy for p53 detection

    Biosensors and Bioelectronics · 2022-06-28

    Mengzhen Lv, Xiyue Cao, Meichen Tian, Rong Jiang, Chengjin Gao, Jianfei Xia, Zonghua Wang

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  8. Progress toward the computational discovery of new metal–organic framework adsorbents for energy applications

    Nature Energy · 2024-01-09

    Peyman Z. Moghadam, Yongchul G. Chung, Randall Q. Snurr

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  9. MEPO-ML: a robust graph attention network model for rapid generation of partial atomic charges in metal-organic frameworks

    npj Computational Materials · 2024-09-18

    Jun Hong Luo, Omar Ben Said, Peigen Xie, Marco Gibaldi, Jake Burner, Cécile Pereira, Tom K. Woo

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  10. High Structural Error Rates in “Computation-Ready” MOF Databases Discovered by Checking Metal Oxidation States

    Journal of the American Chemical Society · 2025-05-16

    Andrew J. White, Marco Gibaldi, Jake Burner, R. Alex Mayo, Tom K. Woo

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  11. Recent advances in computational screening of metal-organic frameworks for carbon capture

    Journal of environmental chemical engineering · 2025-06-29

    Iradat Hussain Mafat, Sridhar Palla

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  12. Photodegradation of bisphenol-A in a wavelength-optimized quaternary system using a Cu-MOF with test-strip-based Cd( ii ) detection and DFT insights

    Journal of Materials Chemistry A · 2026-01-01

    Preeti Sharma, Astakala Anil Kumar, Nohyun Lee, Musheer Ahmad, Nazrul Haq, Na'il Saleh, Kafeel Ahmad Siddiqui

    Read original paper ↗ ·
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