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MO Studies of Polymers. I. Use of MNDO to Calculate Geometries, Vibrational Frequencies and the Electronic Band Structures of Polymers; Formalism and Application to Polyethylene

机译：聚合物的mO研究。 I.使用mNDO计算聚合物的几何形状，振动频率和电子带结构;形式主义及其在聚乙烯中的应用

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Dewar, M. J. S.; Yamaguchi, Y.; Suck, S. H.;
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年度 1979
页码 p.1-13
总页数 13
原文格式 PDF
正文语种 eng
中图分类工业技术;
关键词
Polymers; Computations; Molecular energy levels; Molecular orbitals; Molecular vibration; Molecular rotation; Band spectra; Reprints;

机译：聚合物;计算;分子能级;分子轨道;分子振动;分子旋转;谱带;重印;

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MO Studies of Polymers. I. Use of MNDO to Calculate Geometries, Vibrational Frequencies and the Electronic Band Structures of Polymers; Formalism and Application to Polyethylene

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