On Mon, Jun 01, 2009, aneesh cna wrote:
>
> Can anyone help me in converting vibrational frequencies (
> in cm**-1) to kJ mol**-1 A**-2 and/or kJ mol**-1 rad**-2 ?
These are not equivalent units. It looks like you are confusion frequencies
(expressed as wavenumbers, essentially a unit of energy) with force constants.
...dac
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Tue Jun 02 2009 - 01:08:38 PDT
