[Users-list] JTYPE values for METAL PROBES

[a a]

Dear Sir/Madam,

Could you mind to teach me how JTYPE of metal cation probes account for 
softness and hardness effect of the probe?

I find  the JTYPE values does affect the Eq for some particular atoms, but 
not ELJ nor the EH terms in the equation.  However, I did not find JTYPE 
value (110 to 114) used in the equation for Eq.  How does it accounts for 
the softness and hardness effect?  How can I explan the difference results 
in Eq when different JTYPE values were used?

Please kindly help!

Best regards,

Annie

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