Ab Initio Calculation of Vibrational Absorption and Circular Dichroism Spectra Using Density Functional Force Fields

P. J. Stephens, F. J. Devlin, C. F. Chabalowski, M. J. Frisch
1994 The Journal of Physical Chemistry  
doi:10.1021/j100096a001 fatcat:bi4msmcsjfd6zo7ajdcv6xcacu