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Vinylidene: A Shallow Minimum on the C2H2 Potential Energy Surface. Static and Dynamical Considerations.

机译：亚乙烯基：C2H2势能面上的最小值。静态和动态考虑因素。

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The potential energy surface for the singlet vinylidene + acetylene rearrangement has been investigated using nonempirical molecular electronic structure theory. A double zeta plus polarization basis set was used in conjunction with configuration interact

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作者
Osamura, Y.; Schaefer, H. F.; Gray, S. K.; Miller, W. H.;
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年度 1980
页码 1-26
总页数 26
原文格式 PDF
正文语种 eng
中图分类工业技术;
关键词
Vinylidenes; Potential energy; Acetylenes; Configurations; Electronic structure; Excitation; Molecular dynamics; Polarization; Vinyl plastics;

机译：亚乙烯基;势能;乙炔;构型;电子结构;激发;分子动力学;极化;乙烯基塑料;

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Vinylidene: A Shallow Minimum on the C2H2 Potential Energy Surface. Static and Dynamical Considerations.

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