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Figure 1
Results of the optimized mol­ecular orbital calculations (at the B3LYP/6–31+G* level) for (a) the 1-(diamino­methyl­ene)thiurea and (b) the 2-imino-4-thio­biuret tautomers of (I)[link] (Å, °).

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CHEMISTRY
ISSN: 2053-2296
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