The relative stability of tautomers on pyrazolin-5-ones in gas phase and in solution is studied theoretically by STO-6-31G** +CI ab initio method and the reaciton field continuum model. the results obtained in our wor...The relative stability of tautomers on pyrazolin-5-ones in gas phase and in solution is studied theoretically by STO-6-31G** +CI ab initio method and the reaciton field continuum model. the results obtained in our work are more reasonable than those by other theoretical methods and agree well with experiments.展开更多
文摘The relative stability of tautomers on pyrazolin-5-ones in gas phase and in solution is studied theoretically by STO-6-31G** +CI ab initio method and the reaciton field continuum model. the results obtained in our work are more reasonable than those by other theoretical methods and agree well with experiments.
