Theoretical force field and vibrational spectrum of maleimide by the CNDO/2 force method

L. Harsányi, P. Császár, G. Fogarasi, G. Horváth, I. Szilágyi

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9 Citations (Scopus)


In-plane and out-of-plane vibrations of maleimide have been studied by the CNDO/2 force method. To account for systematic errors, the direct theoretical force field was scaled by empirical factors optimized on the basis of experimental frequencies. The calculations suggest some new assignments in the vibrational frequencies.

Original languageEnglish
Pages (from-to)79-89
Number of pages11
JournalJournal of Molecular Structure: THEOCHEM
Issue number1-2
Publication statusPublished - Sep 1983


ASJC Scopus subject areas

  • Biochemistry
  • Condensed Matter Physics
  • Physical and Theoretical Chemistry

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