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Harsha V.R. Annapureddy, Radha K. Motkuri, Phuong T.M. Nguyen, Tai B. Truong, Praveen K. Thallapally, B. Peter McGrail & Liem X. Dang. (2014) Computational studies of adsorption in metal organic frameworks and interaction of nanoparticles in condensed phases. Molecular Simulation 40:7-9, pages 571-584.
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Articles from other publishers (26)
Max Rautenberg, Biswajit Bhattacharya, Chayanika Das & Franziska Emmerling. (2022) Mechanochemical Synthesis of Phosphonate-Based Proton Conducting Metal–Organic Frameworks. Inorganic Chemistry 61:28, pages 10801-10809.
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Aran Lamaire, Jelle Wieme, Sven M. J. Rogge, Michel Waroquier & Veronique Van Speybroeck. (2019) On the importance of anharmonicities and nuclear quantum effects in modelling the structural properties and thermal expansion of MOF-5. The Journal of Chemical Physics 150:9.
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Ashini S. Jayasinghe, Maurice K. Payne, Daniel K. Unruh, Adam Johns, Johna Leddy & Tori Z. Forbes. (2018) Diffusion and selectivity of water confined within metal–organic nanotubes.. Journal of Materials Chemistry A 6:4, pages 1531-1539.
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Lucas R. Parent, C. Huy Pham, Joseph P. Patterson, Michael S. DennyJr.Jr., Seth M. Cohen, Nathan C. Gianneschi & Francesco Paesani. (2017) Pore Breathing of Metal–Organic Frameworks by Environmental Transmission Electron Microscopy. Journal of the American Chemical Society 139:40, pages 13973-13976.
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Douglas Franz, Katherine A. Forrest, Tony Pham & Brian Space. (2016)
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Mingyang Wang, Xinghua Zhang, Yunlin Chen & Ao Zhang. (2016) Estimation of the desorption energy of dichloromethane and water in MIL-53 by DSC and ab-initio calculations. Science China Chemistry 59:4, pages 398-404.
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Guy Weber, Igor Bezverkhyy, Jean-Pierre Bellat, Anthony Ballandras, Guillaume Ortiz, Gérald Chaplais, Joël Patarin, François-Xavier Coudert, Alain H. Fuchs & Anne Boutin. (2016) Mechanism of water adsorption in the large pore form of the gallium-based MIL-53 metal-organic framework. Microporous and Mesoporous Materials 222, pages 145-152.
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Zachary L. Terranova, Matthew M. Agee & Francesco Paesani. (2015)
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Tony Pham, Katherine A. Forrest, Adam Hogan, Brant Tudor, Keith McLaughlin, Jonathan L. Belof, Juergen Eckert & Brian Space. (2015)
Understanding Hydrogen Sorption in In-
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Nicholas C. Burtch, Himanshu Jasuja & Krista S. Walton. (2014) Water Stability and Adsorption in Metal–Organic Frameworks. Chemical Reviews 114:20, pages 10575-10612.
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Kyoyeon Park, Wei Lin & Francesco Paesani. (2014) Fast and Slow Proton Transfer in Ice: The Role of the Quasi-Liquid Layer and Hydrogen-Bond Network. The Journal of Physical Chemistry B 118:28, pages 8081-8089.
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François-Xavier Coudert, Aurélie U. Ortiz, Volker Haigis, David Bousquet, Alain H. Fuchs, Anthony Ballandras, Guy Weber, Igor Bezverkhyy, Nicolas Geoffroy, Jean-Pierre Bellat, Guillaume Ortiz, Gérald Chaplais, Joël Patarin & Anne Boutin. (2014) Water Adsorption in Flexible Gallium-Based MIL-53 Metal–Organic Framework. The Journal of Physical Chemistry C 118:10, pages 5397-5405.
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Tony Pham, Katherine A. Forrest, Juergen Eckert, Peter A. Georgiev, Ashley Mullen, Ryan Luebke, Amy J. Cairns, Youssef Belmabkhout, Jarrod F. Eubank, Keith McLaughlin, Wiebke Lohstroh, Mohamed Eddaoudi & Brian Space. (2013)
Investigating the Gas Sorption Mechanism in an
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Tony Pham, Katherine A. Forrest, Adam Hogan, Keith McLaughlin, Jonathan L. Belof, Juergen Eckert & Brian Space. (2014) Simulations of hydrogen sorption in rht-MOF-1: identifying the binding sites through explicit polarization and quantum rotation calculations. J. Mater. Chem. A 2:7, pages 2088-2100.
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Katherine A. Forrest, Tony Pham, Patrick Nugent, Stephen D. Burd, Ashley Mullen, Lukasz Wojtas, Michael J. Zaworotko & Brian Space. (2013)
Examining the Effects of Different Ring Configurations and Equatorial Fluorine Atom Positions on CO
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Francesco Paesani. (2013) Molecular Mechanisms of Water-Mediated Proton Transport in MIL-53 Metal–Organic Frameworks. The Journal of Physical Chemistry C 117:38, pages 19508-19516.
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Tony Pham, Katherine A. Forrest, Keith McLaughlin, Brant Tudor, Patrick Nugent, Adam Hogan, Ashley Mullen, Christian R. Cioce, Michael J. Zaworotko & Brian Space. (2013)
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Tony Pham, Katherine A. Forrest, Patrick Nugent, Youssef Belmabkhout, Ryan Luebke, Mohamed Eddaoudi, Michael J. Zaworotko & Brian Space. (2013) Understanding Hydrogen Sorption in a Metal–Organic Framework with Open-Metal Sites and Amide Functional Groups. The Journal of Physical Chemistry C 117:18, pages 9340-9354.
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Volker Haigis, Fran?ois-Xavier Coudert, Rodolphe Vuilleumier & Anne Boutin. (2013) Investigation of structure and dynamics of the hydrated metal?organic framework MIL-53(Cr) using first-principles molecular dynamics. Physical Chemistry Chemical Physics 15:43, pages 19049.
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Jordi Cirera, Jeffrey C. Sung, Porter B. Howland & Francesco Paesani. (2012) The effects of electronic polarization on water adsorption in metal-organic frameworks: H2O in MIL-53(Cr). The Journal of Chemical Physics 137:5.
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