Close relation between quantum interference in molecular conductance and diradical existence

Yuta Tsuji, Roald Hoffmann, Mikkel Strange, Gemma C. Solomon

Research output: Contribution to journalJournal articleResearchpeer-review

86 Citations (Scopus)
Original languageEnglish
JournalProceedings of the National Academy of Science of the United States of America
Volume113
Issue number4
Pages (from-to)E413-E419
Number of pages7
ISSN0027-8424
DOIs
Publication statusPublished - 2016

Keywords

  • molecular conductance
  • diradicals
  • quantum interference
  • determinants nonbonding orbitals

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