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(a) Experimental and calculated FTIR spectra of Cd-MOF at the B3LYP/LANL2DZ level. (b) Experimental and calculated electronic absorption spectra in the ground state of Cd-MOF at the TD-B3LYP/LANL2DZ level in the gas phase and the TD-B3LYP/LANL2DZ-CPCM level in water, ethanol, and DMSO. (c) Absorption coefficient of Cd-MOF and H2BDC measured using THz-TDS. (d) Real and imaginary parts of the dielectric constant of Cd-MOF and H2BDC measured using THz-TDS.
