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Treatment of Solvation Effects with COSMO
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cosmo vdw radius for arsenic
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Topic: cosmo vdw radius for arsenic (Read 8410 times)
greisen
Newbie
Posts: 9
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cosmo vdw radius for arsenic
«
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
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Arnim
Developers
Sr. Member
Posts: 253
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Re: cosmo vdw radius for arsenic
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Reply #1 on:
January 07, 2013, 10:30:38 AM »
Hi,
there is a reasonable guess in $TURBODIR/parameter/radii.cosmo already.
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Treatment of Solvation Effects with COSMO
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cosmo vdw radius for arsenic