Ab initio theoretical study of dipole-bound anions of molecular complexes. Anions of H-bonded hydrogen cyanide polymers

Johan Smets, Dayle M.A. Smith, Ludwik Adamowicz

Research output: Contribution to journalArticle

2 Scopus citations

Abstract

Ab initio calculations have been performed to determine the relative stabilities and structures of small hydrogen cyanide polymers and their dipole-bound anions. It is predicted that while the formation of cyclic structures should dominate in the neutral environment, in the free-electron-rich environment linear clusters should be preferably formed.

Original languageEnglish (US)
Pages (from-to)451-457
Number of pages7
JournalChemical Physics Letters
Volume297
Issue number5-6
DOIs
StatePublished - Dec 4 1998

ASJC Scopus subject areas

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

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