Articles with "organobases based" as a keyword



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Toward tailoring of robust organobases based on extended π-systems: A density functional theory study of the carbonyl basicity

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Published in 2020 at "Computational and Theoretical Chemistry"

DOI: 10.1016/j.comptc.2019.112700

Abstract: Abstract The gas phase proton affinity (PA) and basicity (GB) of a series of extended π-systems, possessing carbonyl as the most basic sites, were calculated using the DFT-B3LYP theoretical method. The backbone of the polycyclic… read more here.

Keywords: organobases based; tailoring robust; extended systems; toward tailoring ... See more keywords