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

C. M. Zicovich-Wilson, F. J. Torres, Fabien Pascale, L. Valenzano, Roberto Orlando, Roberto Dovesi. ::::Ab initio:::: simulation of the IR spectra of pyrope, grossular, and andradite. Journal of Computational Chemistry, 29(13):2268-2278, 2008. [doi]

Abstract

Abstract is missing.