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采用PM3法对HSO3-异构化成HOSO2-的反应进行了研究,得到了互变异构及应过渡态的几何构型。从理论上论证了这一异构化的机理。
The reaction of HSO3-isomerization to HOSO2- was studied by PM3 method, and the tautomerism and transition state geometry were obtained. The mechanism of this isomerization is theoretically demonstrated.