AMBER Archive (2009)

Subject: Re: [AMBER] converting vibrational frequency

From: David A. Case (case_at_biomaps.rutgers.edu)
Date: Mon Jun 01 2009 - 06:39:32 CDT

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

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