화학공학소재연구정보센터
Journal of Physical Chemistry A, Vol.101, No.47, 8778-8782, 1997
Vibrational-rotational spectra of HNS, NSH, and their ions: A theoretical study
The variational method is used to determine rotational-vibrational wave functions for HNS, NSH, and their ions from potential energy functions generated by high-level ab initio calculations, These wave functions describing the nuclear motion are then used in conjunction with ab initio dipole moment functions to predict radiative transition probabilities. Some spectroscopic constants are presented.