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Re^4: The best dft method for TDDFT of C=O containing compounds
Thomas Pijper
thomaspijper@hotmail.com
I think you're right. Judging from the structure, it will probably exist predominantly as 4-hydroxyquinazoline.
Kind regards,
Thom
On Tue Apr 1 '14 0:37am, sanya wrote
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>>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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Tue Apr 1 '14 12:11pm
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