selected publications academic article Ab initio simulation of the IR spectra of pyrope, grossular, and andradite 2008-10-1 Vibrational spectrum of katoite Ca3Al2[(OH) 4]3: A periodic ab initio study 2006-1-19 Ab initio study of the vibrational spectrum and related properties of crystalline compounds; the case of CaCO3 calcite 2006-1-1
