?Vibrational analysis of trimetilsilylisocianate based on the IR, Raman and INS spectra and ab-initio calculations?.

M. P. FERNÁNDEZ-LIENCRES; A. NAVARRO; A. BEN ALTABEF; J. J. LÓPEZ GONZÁLEZ; M. FERNÁNDEZ-GÓMEZ

Lille, Francia

Congreso; XXVI European Congress on Molecular Spectroscopy; 2002

The molecular geometry for (CH3)3SiNCO has been obtained theretically at HF, MP2, B3LYP and B3PW91 levels and using different basis sets.