A critical assessment of closed- and open-shell heterocyclobutadienes

Rama K. Mishra*, Bijay K. Mishra

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review

3 Scopus citations

Abstract

The definition of topological resonance energy (TRE) has been modified and new TRE values have been calculated for closed-and open-shell configurations of heterocyclobutadienes. The quantum chemical parameters of these molecules and their dissected counterparts have been evaluated.

Original languageEnglish (US)
Pages (from-to)44-46
Number of pages3
JournalChemical Physics Letters
Volume151
Issue number1-2
DOIs
StatePublished - Oct 7 1988

ASJC Scopus subject areas

  • Physics and Astronomy(all)
  • Physical and Theoretical Chemistry

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