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Re^5: The best dft method for TDDFT of C=O containing compounds

Alisher
ealisherg@rambler.ru


>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).

This message contains the 577 kb attachment
[ Quin-4-onUV.bmp ] UV spectrum

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