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A Simplified Spin-Flip Time-Dependent Density Functional Theory (SF-sTD-DFT) Approach for the Electronic Excitation Spectra of Very Large Diradicals

A Simplified Spin-Flip Time-Dependent Density Functional Theory (SF-sTD-DFT) Approach for the Electronic Excitation Spectra of Very Large Diradicals

de Wergifosse, Marc; Bannwarth, Christoph; Grimme, Stefan
  • 期刊名称The Journal of Physical Chemistry A
  • 作者de Wergifosse, Marc; Bannwarth, Christoph; Grimme, Stefan
  • 印刷ISSN1089-5639
  • 电子ISSN1520-5215
  • 文件大小4508.90KB
  • 发表时间2019-06-14
  • DOI10.1021/acs.jpca.9b03176
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