THE COMPARATIVE BASICITIES, Li+AND Na+CATION AFFINITIES WITH A SERIES OF HETEROCYCLIC MOLECULES: A DFT STUDY
Author: Biswarup Mandal1
, Umasankar Senapati2,*and Kalipada Bankura3
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Keywords: DFT B3LYP, computationally, gas phase, proton affinity, alkali metal cation