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Combined Theoretical and Experimental Investigation of CO Adsorption on Coordinatively Unsaturated Sites in CuBTC MOF.
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- ChemPhysChem, 2012, v. 13, n. 2, p. 488, doi. 10.1002/cphc.201100602
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- Article
Dynamical Equilibrium between Brønsted and Lewis Sites in Zeolites: Framework‐Associated Octahedral Aluminum.
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- Angewandte Chemie, 2023, v. 135, n. 31, p. 1, doi. 10.1002/ange.202306183
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- Article
Accurate large-scale simulations of siliceous zeolites by neural network potentials.
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- NPJ Computational Materials, 2022, v. 8, n. 1, p. 1, doi. 10.1038/s41524-022-00865-w
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- Article
Controlling the Adsorption Enthalpy of CO<sub>2</sub> in Zeolites by Framework Topology and Composition.
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- ChemSusChem, 2012, v. 5, n. 10, p. 2011, doi. 10.1002/cssc.201200270
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- Article
Dynamical Equilibrium between Brønsted and Lewis Sites in Zeolites: Framework‐Associated Octahedral Aluminum.
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- Angewandte Chemie International Edition, 2023, v. 62, n. 31, p. 1, doi. 10.1002/anie.202306183
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- Article
Density functional theory for molecular and periodic systems using density fitting and continuous fast multipole method: Analytical gradients.
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- Journal of Computational Chemistry, 2016, v. 37, n. 28, p. 2518, doi. 10.1002/jcc.24477
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- Article
Low-memory iterative density fitting.
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- Journal of Computational Chemistry, 2015, v. 36, n. 20, p. 1521, doi. 10.1002/jcc.23961
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- Article
A reactive neural network framework for water-loaded acidic zeolites.
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- Nature Communications, 2024, v. 15, n. 1, p. 1, doi. 10.1038/s41467-024-48609-2
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- Article
A family of zeolites with controlled pore size prepared using a top-down method.
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- Nature Chemistry, 2013, v. 5, n. 7, p. 628, doi. 10.1038/nchem.1662
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- Article
Zeolite (In)Stability under Aqueous or Steaming Conditions.
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- Advanced Materials, 2020, v. 32, n. 44, p. 1, doi. 10.1002/adma.202003264
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- Article