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The performance of different density functional methods in the calculation of molecular structures and vibrational spectra of platinum(II) antitumor drugs: cisplatin and carboplatin.

Rafa WysokiskiDanuta Michalska
Published in: J. Comput. Chem. (2001)
Keyphrases
  • benchmark datasets
  • three dimensional
  • data sets
  • neural network
  • user interface
  • molecular structures