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Comparison of the performance of local, gradient-corrected, and hybrid density functional models in predicting infrared intensities

Comparison of the performance of local, gradient-corrected, and hybrid density functional models in predicting infrared intensities

Halls, Mathew D.; Schlegel, H. Bernhard
  • 期刊名称The Journal of Chemical Physics
  • 作者Halls, Mathew D.; Schlegel, H. Bernhard
  • 卷第109卷
  • 期第24期
  • 印刷ISSN0021-9606
  • 文件大小353.81KB
  • 发表时间1998
  • DOI10.1063/1.476518
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