Zeitschrift fur Phisikalische Chemie 220 (2006) 893-912 |
L. Valenzano, F.J. Torres, K. Doll, F. Pascale, C.M. Zicovich-Wilson and R. Dovesi
Ab initio study of the vibrational spectrum
and related properties of crystalline compounds: the case of CaCO3 calcite |