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以半经验的CNDO/2分子轨道法对方酸及其二价负离子进行了计算,优化了它们的几何构型,并讨论了其稳定性及酸性等性质。
The half-empirical CNDO / 2 molecular orbital method was used to calculate the square acid and its divalent anions. Their geometrical configurations were optimized and their stability and acidity were discussed.