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NMR 3J(C1, H3) couplings in 1-X-bicyclo[1.1.1]pentanes. FPT-DFT and NBO studies of hyperconjugative interactions and heavy atom substituent effects.

Verónica BaroneJuan E. PeraltaRubén H. Contreras
Published in: J. Comput. Chem. (2001)
Keyphrases
  • van der waals
  • empirical studies
  • frequency domain
  • discrete fourier transform
  • real time
  • neural network
  • information systems
  • multiscale
  • image reconstruction