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- W254292808 abstract "基于最子化学从头计算法以及二阶微扰法，研究了乙锂分子的平原桥式与线性式之间的异构化途径。６－３１１Ｇ（ｄ）基态被用于几何优化和反应途径的确定，而６－３１ＧＴ（３ｄｆ）基态被用于单 式计算。" @default.
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- W254292808 date "1997-01-01" @default.
- W254292808 modified "2023-09-23" @default.
- W254292808 title "乙炔二锂（C2Li2）异构体反应的分子轨道研究" @default.
- W254292808 hasPublicationYear "1997" @default.
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