Browsing by Subject "TD-DFT"
Now showing items 1-1 of 1
-
Temperature dependent DFT studies to understand the physiochemical interaction of lithium chloride cluster ions in presence of syringic acid
(Elsevier, 2021)This work presents the results of the DFT for hydration of lithium ions in present of syringic acid and chloride ion. Herein, lithium ion is bonded to different number of water molecules (0–4) in presence of syringic acid ...