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Limitations of restricted open-shell self-consistent field calculations applied to molecules with multiple bonds. Electronic structure and geometry of the ground state of cyanocarbene

Limitations of restricted open-shell self-consistent field calculations applied to molecules with multiple bonds. Electronic structure and geometry of the ground state of cyanocarbene

Harrison, J. F.; Dendramis, A.; Leroi, G. E.
  • 期刊名称Journal of the American Chemical Society
  • 作者Harrison, J. F.; Dendramis, A.; Leroi, G. E.
  • 卷第100卷
  • 期第14期
  • 印刷ISSN0002-7863
  • 文件大小499.36KB
  • 发表时间1978-07
  • DOI10.1021/ja00482a005
  • 页码4352-4356
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