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Resonance Raman spectra and excited state properties of methyl viologen and its radical cation from time-dependent density functional theory

  • Texas Tech University
  • University of Utah

Research output: Contribution to journalArticlepeer-review

Original languageEnglish
Pages (from-to)2414-2423
Number of pages10
JournalJournal of Computational Chemistry
Volume44
Issue number31
DOIs
StatePublished - Dec 5 2023
Externally publishedYes

ASJC Scopus Subject Areas

  • General Chemistry
  • Computational Mathematics

Keywords

  • absorption
  • methyl viologen
  • resonance Raman
  • TDDFT
  • vertical gradient

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