Some Tautomers of Dacarbazine - A DFT Study
نویسندگان
چکیده
The present study considers some of dacarbazine tautomers having resulted from 1,3- and 1,5-proton migration. Density functional approach has been adopted at the level B3LYP/6-311++G(d,p) in order to obtain various geometrical, physicochemical, spectral quantum chemical properties concern. Also local aromaticity imidazole ring 6π-electrons obtained by calculating nucleolus independent shift values.
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Relaxations of methylpyridinone tautomers at the C60 surfaces: DFT studies
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ژورنال
عنوان ژورنال: Earthline Journal of Chemical Sciences
سال: 2022
ISSN: ['2581-9003']
DOI: https://doi.org/10.34198/ejcs.9123.4762