J. Comp. Chem. 29 (2008) 2268-2278

C. M. Zicovich-Wilson, F. J. Torres, F. Pascale, L. Valenzano, R. Orlando, R. Dovesi

Ab initio simulation of the IR spectra of pyrope, grossular, and andradite

 

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Andradite_TO Ca Fe Si O
Andradite_LO Ca Fe Si O