ADL: parameters for copper...
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??
Faculty of Chemical and Farmaceutical Sciences
Universidad de Chile
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