Doubly Excited Character or Static Correlation of the Reference State in the Controversial 21Ag State of trans-Butadiene?

Yinan Shu, Donald G. Truhlar
  • Journal of the American Chemical Society, September 2017, American Chemical Society (ACS)
  • DOI: 10.1021/jacs.7b06283
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http://dx.doi.org/10.1021/jacs.7b06283

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