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Ab initio molecular dynamics for ethanol asorption in H-ZSM-5
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Role of anharmonicity in the confinement effect in zeolites: structure, spectroscopy, and adsorption free energy of ethanol in H-ZSM-5
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Anharmonicity and confinement in zeolites: structure, spectroscopy, and adsorption free energy of ethanol in H-ZSM-5
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Molecular dynamics study of ethanol adsorption and protonation in H-ZSM-5
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Structure, adsorption free energy, and spectroscopy of ethanol in HZSM-5