Calculations of ionization energies and electron affinities for atoms and molecules: A comparative study with different methods

著录项

• 来源
  《中国高等学校学术文摘·化学》 |2011年第4期|269-279|共11页
• 作者

  Neil Qiang SU; laor Yina ZHANG; Jianming WU; Xin XU;

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• 作者单位

  State Key Laboratory of Physical Chemistry of Solid Surfaces, College for Chemistry and Chemical Engineering, Xiamen University, Xiamen 361005, China;

  State Key Laboratory of Physical Chemistry of Solid Surfaces, College for Chemistry and Chemical Engineering, Xiamen University, Xiamen 361005, China;

  Shanghai Key Laboratory of Molecular Catalysis and Innovative Materials, MOE Laboratory for Computational Physical Science,Department of Chemistry, Fudan University, Shanghai 200433, China;

  Shanghai Key Laboratory of Molecular Catalysis and Innovative Materials, MOE Laboratory for Computational Physical Science,Department of Chemistry, Fudan University, Shanghai 200433, China;

  State Key Laboratory of Physical Chemistry of Solid Surfaces, College for Chemistry and Chemical Engineering, Xiamen University, Xiamen 361005, China;

  Shanghai Key Laboratory of Molecular Catalysis and Innovative Materials, MOE Laboratory for Computational Physical Science,Department of Chemistry, Fudan University, Shanghai 200433, China;

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• 原文格式 PDF
• 正文语种 chi
• 中图分类
• 关键词