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Ab initio calculation of anharmonic constants for a transition state, with application to semiclassical transition state tunneling probabilities

Ab initio calculation of anharmonic constants for a transition state, with application to semiclassical transition state tunneling probabilities

William H. Miller; Rigoberto Hernandez; Nicholas C. Handy; Dylan Jayatilaka; Andrew Willetts
  • 作者William H. Miller; Rigoberto Hernandez; Nicholas C. Handy; Dylan Jayatilaka; Andrew Willetts
  • 卷第172卷
  • 期第1期
  • 印刷ISSN0009-2614
  • 文件大小502.60KB
  • 发表时间1990
  • DOI10.1016/0009-2614(90)87217-f
  • 页码62-68
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