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Journal of the American Chemical Society|May 16, 2025
High Structural Error Rates in "Computation-Ready" MOF Databases Discovered by Checking Metal Oxidation StatesAndrew J White, Marco Gibaldi, Jake Burner, et al.Scientific Reports|May 25, 2016
QSAR Accelerated Discovery of Potent Ice Recrystallization InhibitorsJennie G Briard, Michael Fernandez, Phil De Luna, et al.Journal of the American Chemical Society|January 9, 2009
Mechanistic insights into the rhodium-catalyzed intramolecular ketone hydroacylationZengming Shen, Peter K Dornan, Hasan A Khan, et al.The Journal of Physical Chemistry Letters|August 18, 2015
Rapid and Accurate Machine Learning Recognition of High Performing Metal Organic Frameworks for CO2 CaptureMichael Fernandez, Peter G Boyd, Thomas D Daff, et al.Chemistry (Weinheim an Der Bergstrasse, Germany)|September 3, 2010
Hydrogen adsorption and diffusion in p-tert-butylcalix[4]arene: an experimental and molecular simulation studySaman Alavi, Tom K Woo, Andrew Sirjoosingh, et al.Inorganic Chemistry|January 14, 2009
Structural study of acidic metallocavitands and characterization of their interactions with Lewis basesChristian N Garon, Serge I Gorelsky, Olivier Sigouin, et al.ACS Applied Materials & Interfaces|January 10, 2026
High-Throughput Screening of Experimental Metal-organic Frameworks for High Water Content Syngas Hydrogen Purification under Pressure Swing Adsorption ConditionsJun Luo, Marco Gibaldi, Samira Rostom, et al.Chemical Science|February 3, 2025
MOSAEC-DB: a comprehensive database of experimental metal-organic frameworks with verified chemical accuracy suitable for molecular simulationsMarco Gibaldi, Anna Kapeliukha, Andrew White, et al.Journal of the American Chemical Society|January 22, 2017
Ultralow Parasitic Energy for Postcombustion CO2 Capture Realized in a Nickel Isonicotinate Metal-Organic Framework with Excellent Moisture StabilityShyamapada Nandi, Sean Collins, Debanjan Chakraborty, et al.Npj Computational Materials|September 23, 2024
MEPO-ML: a robust graph attention network model for rapid generation of partial atomic charges in metal-organic frameworksJun Luo, Omar Ben Said, Peigen Xie, et al.Pageof 12