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