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Re^6: The best dft method for TDDFT of C=O containing compounds


Dear firefly users,
Additional information you can find from:


Many thanks in advance,
On Tue Apr 1 '14 1:47pm, Alisher wrote
>>>I also attached spectrum.
>>On Tue Apr 1 '14 0:37am, sanya wrote
>>>>I have calculated quinozolin-4-one by TDDFT/B3LYP1(PBE0)/6-31G(d,p).

>>>Can you attach *.xyz file? anyway, I could not find any spectral data for this compound (which is rather strange, if it is stable).

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