Harmonic vibrational frequencies

 

Harmonic vibrational frequency scaling factors for the new NDDO Hamiltonians: RM1 and PM6

Author(s): Fekete ZA (Fekete, Z. A.), Hoffmannz EA (Hoffmannz, E. A.), Kortvelyesi T (Koertvelyesi, T.), Penke B (Penke, B.)
Publication year: 2007
Journal / Book title:MOLECULAR PHYSICS

Excerpt from the article:

vibrations