Subject: Re: CCL:Metal ion-water complex calculations

From: Jasna Klicic <[email-masked]>
Date: Mon, 8 Feb 1999 12:47:01 -0500 (EST)

> Date: Fri, 05 Feb 1999 13:47:05 -0500  
> From: Yongxing Liu <[email-masked]>
> To: [email-masked]
> Subject: CCL:Metal ion-water complex calculations
>
> Dear CCLers,
> 
> Would any one please point to me any references of ab initio,
> semiempirical, DFT calculations on metal ion-water complexes? The metal
> ions I am interested in are Na+, K+, Mg2+, Zn2+, Cl-, etc.
>
> Thanks a lot in advance.
>
> Sincerely,
> 
> Yongxing Liu
>

Dear Yongxing Liu,
   
There is an ab initio study of Zn(II)dithiophosphate by W. Goddard you
might be interested to see.  The reference is: 

Whaoyi Jiang et al, J. Phys. Chem. 1996, (100), p15760
   
Best regards,
   
Jasna

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