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The ground state geometries, scaled quantum mechanical (SQM) quadratic force fields, and infrared and Raman intensities of magnesium and zinc porphyrins (MgP and ZnP), and of (H 2 O) 2 MgP have been determined from density functional theory, using the Becke-Lee-Yang-Parr composite exchange-correlation functional (B3-LYP) and the 6-31G * basis set. The geometry of (H 2...
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