SIRS-SS: A System for Simulating IR/Raman Spectra, 2. Procedures and Performance. - Jianhua Yao 002; Bo Tao Fan; Jean-Pierre Doucet; Annick Panaye; Jianfeng Li; Chuantao Sun; Shengang Yuan (J. Chem. Inf. Comput. Sci., 2002)