Supporting Information. Figures showing adsorption energies
of CO, H2O, H2S, N2, and CO adsorbed on CuY zeolite
and significant COPVs of CO and the CuY cluster, text describing
NBO charge analysis, and tables listing distances between
cation M and three O(2) atoms, selected geometric parameters,
and ALMO EDA results. This material is available free of charge
via the Internet at http://pubs.acs.org.