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Physical Chemistry Chemical Physics : PCCP|October 2, 2015
A modelling approach for MOF-encapsulated metal catalysts and application to n-butane oxidationDiego A Gomez-Gualdron, Sean T Dix, Rachel B Getman, et al.
The Journal of Chemical Physics|July 24, 2010
Distance and angular holonomic constraints in molecular simulationsDavid Dubbeldam, Gloria A E Oxford, Rajamani Krishna, et al.
Chemical Science|August 30, 2018
Water stabilization of Zr6-based metal-organic frameworks via solvent-assisted ligand incorporationPravas Deria, Yongchul G Chung, Randall Q Snurr, et al.
Journal of the American Chemical Society|August 28, 2025
Adjusting the Criteria for Hydrogen Evolution by Single-Atom CatalystsMansu Kim, Sohui Kim, Xijun Wang, et al.
Journal of the American Chemical Society|July 25, 2008
Separation and molecular-level segregation of complex alkane mixtures in metal-organic frameworksDavid Dubbeldam, Casey J Galvin, Krista S Walton, et al.
Chemical Communications (Cambridge, England)|July 7, 2015
A MOF platform for incorporation of complementary organic motifs for CO2 bindingPravas Deria, Song Li, Hongda Zhang, et al.
Journal of Chemical Theory and Computation|December 12, 2017
Molecular Building Block-Based Electronic Charges for High-Throughput Screening of Metal-Organic Frameworks for Adsorption ApplicationsEdwin Argueta, Jeena Shaji, Arun Gopalan, et al.
Journal of Materials Chemistry. B|April 9, 2020
Screening of bio-compatible metal-organic frameworks as potential drug carriers using Monte Carlo simulationsMaría C Bernini, David Fairen-Jimenez, Marcelo Pasinetti, et al.
Frontiers in Chemistry|July 23, 2025
Water-enhanced CO2 capture in metal-organic frameworksCeline Cammarere, Jaeden Cortés, T Grant Glover, et al.
ACS Applied Materials & Interfaces|October 26, 2023
Geometry and Chemistry: Influence of Pore Functionalization on Molecular Transport and Diffusion in Solvent-Filled Zirconium Metal-Organic FrameworksRui Wang, Brandon C Bukowski, Jiaxin Duan, et al.
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