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Re^5: catalysis, negative energy activation in MP2 calculation

Ronald Conol
aljaosn@yahoo.com


I've already attached my reactants output file as well as the catalyst.. I hope you can take a look at it and find out that the energy or the transition state is much lower than the sum of the reactants and catalyst that is bothering me right now.

This message contains the 320 kb attachment
[ mp2bf3.out ]

[ This message was edited on Wed Feb 24 '10 at 6:15pm by the author ]


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