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The performance of the ONIOM (Our-own-N-layered Integrated molecular Orbital + molecular Mechanics) approach utilizing 10 combinations of two-layer ONIOM2 schemes has been tested for various sizes of faujasite clusters containing up to 84T tetrahedral atoms and the complexes they form with ethylene, benzene, and ethylbenzene molecules. Interaction energies of the adsorbates with a 3T bare quantum...
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