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Theoretical study of valance photoelectron spectra of hypoxanthine, xanthine, and caffeine using direct symmetry-adapted cluster/configuration interaction methodology.

Hossein FarrokhpourFariman Fathi
Published in: J. Comput. Chem. (2011)
Keyphrases
  • principal component analysis
  • databases
  • genetic algorithm
  • clustering algorithm
  • data points
  • x ray
  • theoretical analysis
  • machine learning
  • e learning
  • empirical studies
  • infrared
  • survey data
  • interaction patterns