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Quantum vs. classical models of the nitro group for proton chemical shift calculations and conformational analysis.

Mehdi MobliRaymond J. Abraham
Published in: J. Comput. Chem. (2005)
Keyphrases
  • data analysis
  • database
  • real time
  • image analysis
  • probabilistic model
  • experimental data
  • model selection
  • process model
  • monte carlo simulation
  • hybrid model