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TS in a Isomerization with transition metals.
martha barajas
quim.quant@gmail.com
so if I understood well, even if until now I have found several negative frequencies, it is possible to perform the sadpoint calculation using the Hessian that I have, then I can find in the output file a single imaginary frequency?because I thought it was no longer necessary sadpont calculation, since this structure that I proposed,showed me that have several negative frequencies.
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Mon Feb 20 '12 11:30pm
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