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Reduced-size polarized basis sets for calculations of molecular electric properties. II. Simulation of the Raman spectra.

Roma E. OakesSteven E. J. BellZuzana BenkovaAndrzej J. Sadlej
Published in: J. Comput. Chem. (2005)
Keyphrases
  • raman spectra
  • closed sets
  • molecular dynamics
  • mathematical model
  • neural network
  • probabilistic model
  • probabilistic neural networks
  • molecular dynamics simulations