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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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Wed Feb 24 '10 6:15pm
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