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Low-energy electron elastic scattering from ethylene oxide and thiirane

机译:来自环氧乙烷和硫烷的低能电子弹性散射

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摘要

We present elastic integral cross sections for electron collisions with ethylene oxide and thiirane. The calculations were performed with R-matrix method in the static-exchange and static exchange polarization approximations for electron energies ranging from 0.01 to 15 eV. We found two shape resonances in the B-2(1) and B-2(2) symmetry in each molecule. We also detected one shape resonance in the (2)A(1) symmetry for thiirane. The positions of the resonances agree well with available results. We shed some light on the nature of the resonances of these two compounds together with molecular orbital calculations. The similarities and differences among the resonances are discussed.
机译:我们向电子碰撞与环氧乙烷和硫烷呈现弹性整体横截面。 在静态交换和静态交换偏振近似值中以0.01至15eV的静态交换和静态交换偏振近似进行计算。 我们发现在每种分子中的B-2(1)(1)和B-2(2)对称中的两个形状共振。 我们还检测到(2)(1)对称的一个形状共振,用于噻anane。 共振的位置与可用的结果很好。 我们在分子轨道计算中阐明了这两种化合物的共振的性质。 讨论了共振之间的相似性和差异。

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