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Quantum-chemical Investigations of Pyrimidinones-4. 1. Tautomerism of 2-Oxopyrimidinones-4 |
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| Authors: | M Kh Mamarakhmonov M A Ashirmatov Kh M Shakhidoyatov |
| Institution: | (1) Acad. S. Yunusov Institute of Chemistry of Plant Substances, Uzbekistan Republic Academy of Sciences, Tashkent, 700170, Uzbekistan |
| Abstract: | Semiempirical quantum-chemical calculations have been carried out of the molecules of 2-oxopyrimidinones-4. The geometry and electronic structures and the stabilities of the tautomeric forms have been analyzed. |
| Keywords: | 2-oxopyrimidinones-4 gas phase quantum-chemical calculations AM1 and PM3 methods reactivity tautomerism point dipoles |
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