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Equilibrium and DFT modeling studies for the biosorption of Safranin O dye from water samples using Bacillus subtilis biosorbent
(Elsevier, 2023)
Current study deals with the biosorption of Safranin O dye from water by using high potential Bacil-
lus subtilis biosorbent material. The presence of functional groups and surface morphology of biosor-
bent was analyzed ...
Analysis of boronic acids containing amino ferrocene by DFT approach and in silico studies
(Elsevier, 2023)
The synthesized (2)-(6) complexes and (2′)-(6′) hypothetical complexes formed by attached boranic acid esters were optimized at the DFT-B3LYP/GEN level. The structural and spectroscopic properties (IR, 1HNMR , 13CNMR ) of ...
Equilibrium and Computational Chemical Modelling Studies for the Removal of Methyl Orange and Methyl Red Dyes from Water Using Modified Silica Resin
(Taylor & Francis, 2023)
This study describes the removal of methyl orange (MO) and methyl red (MR) dyes from water samples using morpholinomethylcalix[4]arene immobilised silica (MIS) resin. The silica surface has been modified by p-morpholinom ...
Analysis of boronic acids containing amino ferrocene by DFT approach and in silico studies
(2023)
The synthesized (2)-(6) complexes and (2 )-(6 ) hypothetical complexes formed by attached boranic acid esters were optimized at the DFT-B3LYP/GEN level. The structural and spectroscopic properties (IR, 1H NMR , 13C NMR ...