Embedded Tautomerism in a DADNE embedded pull-push structure- A DFT treatise
1,5-Type proton tautomerism of 2-(dinitromethylene)-4,5-dinitro-2,3-dihydro-1H-imidazole structure is considered within the constraints of density functional theory at the level of B3LYP/6-311++G(d,p). One of the pentad tautomers has been found to be almost as stable as the parent structure. The lo...
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| Format: | Article |
| Language: | English |
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PURKH
2020-08-01
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| Series: | To Chemistry Journal |
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| Online Access: | https://www.purkh.com/index.php/tochem/article/view/844 |