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Tuning the aqueous solubility, chemical reactivity and absorption wavelength of azo dye through systematic adjustment of molecular charge density: A DFT study
Wahab, OO
;
Olasunkanmi, LO
;
Govender, Krishna
;
Govender, PP
(
Taylor and Francis Online
,
2019-06
)
Prediction of aqueous solubility by treatment of COSMO-RS data with empirical solubility equations: The roles of global orbital cut-off and COSMO solvent radius
Wahab, OO
;
Olasunkanmi, LO
;
Govender, Krishna
;
Govender, PP
(
Springer
,
2019-06
)
A DFT study of disperse yellow 119 degradation mechanism by hydroxyl radical attack
Wahab, OO
;
Olasunkanmi, LO
;
Govender, Krishna
;
Govender, PP
(
Wiley
,
2018-12
)
DMol3/COSMO-RS prediction of aqueous solubility and reactivity of selected Azo dyes: Effect of global orbital cut-off and COSMO segment variation
Wahab, OO
;
Olasunkanmi, LO
;
Govender, Krishna
;
Govender, PP
(
Elsevier
,
2018-01
)
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Govender, Krishna (4)
Govender, PP (4)
Olasunkanmi, LO (4)
Wahab, OO (4)
Subject
Azo dye (4)
Aqueous solubility (3)
Density functional theory (2)
Absorption wavelength (1)
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COSMO segment and global orbital cutoff (1)
COSMO solvent radius and global orbital cut-off (1)
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2018 (2)
2019 (2)
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