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A DFT study on 1, 4-dihydro-1, 4-azaborinine annulated linear polyacenes: Absorption spectra, singlet-triplet energy gap, aromaticity, and HOMO-LUMO energy modulation.

Ramachandran RakhiCherumuttathu H. Suresh
Published in: J. Comput. Chem. (2017)
Keyphrases
  • energy consumption
  • energy minimization
  • data sets
  • computer simulation
  • low energy
  • image processing
  • principal component analysis
  • statistical analysis
  • experimental study
  • microarray
  • energy efficiency