TURBOMOLE Users Forum

TURBOMOLE Modules => Treatment of Solvation Effects with COSMO => Topic started by: greisen on March 06, 2012, 05:13:20 PM

Title: cosmo vdw radius for arsenic
Post by: greisen on March 06, 2012, 05:13:20 PM

Hi

I have been looking for the cosmo-parameters for As but have not been able to find them - any one has them or has a good estimate of them?

Thanks

Title: Re: cosmo vdw radius for arsenic
Post by: Arnim on January 07, 2013, 10:30:38 AM

Hi,

there is a reasonable guess in $TURBODIR/parameter/radii.cosmo already.