The values of energy and O4<i><sup>a</sup></i>O1<i><sup>a</sup></i> distance corresponding to molecular structures obtained in selected cycles of forced geometry optimization and the energy of <i>relaxed</i> structures with the lowest harmonic vibration frequencies.
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资源简介：
The values of energy and O4aO1a distance corresponding to molecular structures obtained in selected cycles of forced geometry optimization and the energy of relaxed structures with the lowest harmonic vibration frequencies.
创建时间：
2016-10-31
