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Ab initio predictions of adsorption in flexible metal-organic frameworks for water harvesting applications
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Confined hot-pressurized water in Brønsted-acidic beta zeolite speeds up the O demethylation of guaiacol
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Transforming 2D imine into 3D thiazole covalent organic frameworks by conjugated connectors : fully conjugated photocatalysts
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MIL-91(Al) to boost solid-solid conversion reactions in Li-Se batteries
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The operando nature of isobutene adsorbed in Zeolite H‐SSZ‐13 unraveled by machine learning potentials beyond DFT accuracy
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Mesoporous acridinium-based covalent organic framework for long-lived charge-separated exciton mediated photocatalytic [4+2] annulation
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Totally conjugated and coplanar covalent organic frameworks as photocatalysts for water purification : reduction of Cr (VI) while oxidizing water borne organic pollutants
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Increasing the phase stability of CsPbI3 nanocrystals by Zn2+ and Cd2+ addition : synergy of transmission electron microscopy and molecular dynamics
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Theoretical understanding and insights on flexible metal–organic frameworks
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Computational protocol for the spectral assignment of NMR resonances in covalent organic frameworks