Vibrational frequency shifts of H2, N2 and O2 adsorbed in NaA zeolite.
2008
We report ab initio calculations on H2,N2 and O2 and on the same molecules in interaction with a Na+ cation. The results are compared to experimental data on induced infrared band of H2, N2 and O2 adsorbed in NaA zeolite. (AIP)
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