ADL: parameters for copper...

Raul Araya arayasecchi at gmail.com
Tue Oct 23 08:36:44 PDT 2007


Dear AD users:

Can any one help me.....
Where can I find or how can I caclulate the following paramenters for
parametrize Cu(II) for AD4.
1) Atomic Solvation Parameter
2) vanderWaals energy well depth for Cu-Cu ?

How have those values been calculated/obtained for the other atom types
already used in AD4? are there any references or tables one can look into
for more help and details??

Thanks..

Raul Araya-Secchi
Faculty of Chemical and Farmaceutical Sciences
Universidad de Chile
Santiago, Chile.


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