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Model cluster simulating a fragment of siticalite lattice near the intersection of straight

Model cluster used for calculations of excited electronic states in SiOz clusters containing the combined NBO OV defect

Model cluster used for the calculation of absorption energies on nitrogen-doped carbon. The calculations were performed for carbon atoms at different electronic positions in the N-doped graphene plane as indicated by the letters a, b, c, and d. The figure was taken from , reproduced with permission of the American Chemical Society

Model cluster used in the study of the dehydrogenation reaction of isobutene over zeolites. Left side

Model clusters CrBe3Al3Si6042 2-including the host cations.

Model clusters H-Al-2p .

Model clusters used for simulating OVs in the second layers from the NBO defect. Terminal H atoms are not shown.

Model clusters used for simulating oxygen-containing point defects in Ge02. Terminal H atoms are not shown.

Model clusters used for simulating silanone and dioxasilyrane point defects and Al impurity atom in Si02

Model clusters used for simulation of the -Ge defect . Terminal H atoms are not shown.

Model clusters with neutral total charge for MgO and CaO materials

Model cobaltocenium monosubstituted ester and amide species.

Model Compared to

Model comparison of equilibrium water uptake in 95-35-70-95 C hygrothermal condition

Model comparison of pressure drop per unit length as a function of superficial gas velocity.

Model comparison.

Model Comparison—Nakanoh and Yoshida s Data

Model compartmentalization, upper boundary and tributary

Model complexes for -hydrogenase 4 ECCE mechanism PTA phosphatriazaadamantane

Model complexes for nitrogen fixation .

Model complexes studied by Jacobsen and coworkers to evaluate the contributions of ii-donation and jt-backbonding to metal-carbene bonds .

Model Components for Aspen FCC

Model composition

Model compound for a cubane-type cluster with a trithiol ligand, close-up view of the Fe-S cluster. From Stack, T. D. P. Holm. R. H. J. Am. Chetn. Soc. 1988, 110, 2484-2494. Reproduced with permission.

Model compound for a cubane-type Fe cluster with a trithiol ligand, close-up view of the Fe-S cluster. From Stack. T. D. P. Holm. R. H. J. Am. Chem. Soc. 1988, 110,2484-2494. Reproduced with permission.

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