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用INDO法对C_(28)X_4(X=H,Cl)和CX_4(X=H,Cl)进行几何构型优化,得到Td对称性的构型C_(28)X_4有4种键、4种不等同原子,基态为稳定的闭壳层分子,以此构型为基础计算了上述分子的电子光谱,并预测C_(28)X_4的电子光谱.
The geometric configurations of C_ (28) X_4 (X = H, Cl) and CX_4 (X = H, Cl) were optimized by INDO method. The electron spectra of these molecules were calculated based on this configuration, and the electronic spectra of C_ (28) X_4 were predicted.