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Ab initio study on tautomerism of 2-thiouracil in the gas phase and in solution
(KLUWER ACADEMIC PUBL, 2000)
Ab initio geometry optimizations were carried out at the HF/3-21G and HF/6-31+G** levels for the six tautomeric forms of 2-thiouracil (2TU, 2TU1, 2TU2, 2TU3, 2TU4, 2TU5) in the gas phase and in solution. To obtain a more ...