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Re^4: Reactant/Product Optimizations

benjoe rey
benz_601@yahoo.com


Thank you very much.

Regards,
Benjoe


On Sat Oct 2 '10 2:18pm, sanya wrote
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>On Sat Oct 2 '10 1:31pm, Vladimir A. Mironov wrote
>--------------------------------------------------
>>It should be noticed, that summation of energies is possible only if your calculation method is size-consistent.

>I agree. But in practice, people use even HF energies, although it is not good.


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