Role of donor-acceptor functional groups in N3P3 cyclic-triphosphazene backbone. Unraveling bonding characteristics from natural orbitals within an extended transition state-natural orbital for the chemical valence scheme

Cristian Linares-Flores, Rodrigo Ramirez-Tagle, Macarena Rojas-Poblete, Ramiro Arratia-Perez, Alvaro Muñoz-Castro, Raul Guajardo-Maturana

Research output: Contribution to journalArticlepeer-review

1 Citation (Scopus)
Original languageEnglish
Article numbere26057
JournalInternational Journal of Quantum Chemistry
Volume120
Issue number1
DOIs
Publication statusPublished - 1 Jan 2020

Keywords

  • cyclic-phosphazene
  • ETS-NOCV
  • sigma and pi contributions

ASJC Scopus subject areas

  • Atomic and Molecular Physics, and Optics
  • Condensed Matter Physics
  • Physical and Theoretical Chemistry

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