Combination of Theoretical ab Initio and Experimental Information to Obtain Reliable Harmonic Force Constants. Scaled Quantum Mechanical (SQM) Force Fields for Glyoxal, Acrolein, Butadiene, Formaldehyde, and Ethylene

Péter Pulay, Géza Fogarasi, Gábor Pongor, James E. Boggs, Anna Vargha

Research output: Contribution to journalArticle

1370 Citations (Scopus)
Original languageEnglish
Pages (from-to)7037-7047
Number of pages11
JournalJournal of the American Chemical Society
Issue number24
Publication statusPublished - Nov 1983

ASJC Scopus subject areas

  • Catalysis
  • Chemistry(all)
  • Biochemistry
  • Colloid and Surface Chemistry

Cite this