It is the electronic structure of molecule and the interaction between molecule and metal surface.
一是分子的电子结构，二是分子和金属表面的相互作用。
The transmission coefficient in the current formula is relevant to the electronic structure of molecule and the interaction between the molecule and the metal.
电流公式中的透射系数是和分子的电子结构以及分子与金属的相互作用能有关的。
Two different symmetric configurations in the electronic structure of propadiene molecule are calculated by adopting PSHONDO SCF full electronic ab initio calculation.
采用PSHONDO - SCF全电子从头计算程序，对丙二烯分子的两种不同对称性构型的电子结构进行计算。
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