Kathryne Esperdy

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The mid- and far-infrared spectra of Ho(III) and Gd(III) chloride hexahydrate, anhydrous Gd(III) formate, Ho(III) and Gd(III) acetate hemihydrate and trihydrate, and Gd(III) benzoate monohydrate have been computed by the ROHF/SBKJC method in GAMESS. The calculated spectra successfully simulated the experimental spectra down to 50 cm(-1). Absorptions due to(More)
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