Estimating the carbonyl anharmonic vibrational frequency from affordable harmonic frequency calculations

Aneta Buczek, Teobald Kupka, Stephan P. A. Sauer, Małgorzata A. Broda
  • Journal of Molecular Modeling, October 2011, Springer Science + Business Media
  • DOI: 10.1007/s00894-011-1262-6
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http://dx.doi.org/10.1007/s00894-011-1262-6

The following have contributed to this page: Dr Stephan P. A. Sauer and Professor Teobald Kupka