Evaluation of PM3, AM1, and MNDO for calculation of higher energy ionization potentials

James E. Gano, E. Jean Jacob, Rebecca Roesner

Research output: Journal ArticleArticlepeer-review

Original languageEnglish
Pages (from-to)126-134
Number of pages9
JournalJournal of Computational Chemistry
Issue number1
StatePublished - 1991
Externally publishedYes

ASJC Scopus Subject Areas

  • General Chemistry
  • Computational Mathematics

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