I don't remember if that article includes non-bonded values for Cu+ and I
don't think they will be the same. Copper 1+ has a different geometry of
coordination. You can derive parameters for your particular systems with
various methods already mentioned in this list.
Good luck!
Rodrigo.
2011/12/27 gaoya <agrace.gao.gmail.com>
> Hello, thank you very much for your reply~~
> But does Cu+ have the same nonbond parametes with Cu2+ ?
>
> Best wishes!
> gao
>
> On 12/28/2011 01:34 PM, ros wrote:
> > Hello!
> > Check the work from Babu& Lim.
> >
> > http://www.ncbi.nlm.nih.gov/pubmed/16405342
> >
> > They do an excellent work on divalent metals. I've tested the Cu2+ values
> > on several coordinated complexes and work great.
> >
> > Hope it helps!
> >
> > Rodrigo.
> >
> > 2011/12/27 gaoya<agrace.gao.gmail.com>
> >
> >> Dear all,
> >> I need the nonbond parameters for Cu2+ and Cu+, can anyone give me some
> >> suggestions? Thank you very much!
> >>
> >>
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Received on Tue Dec 27 2011 - 22:00:03 PST
