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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
)
A theoretical study of 2D AlN on 3D C4H6N6Ni2 clathrate thermoelectric material composites
Kiarii, EM
;
Govender, Krishna
;
Govender, PP
(
Springer
,
2019-11
)
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
)
The effects of two–dimensional TiSe2 on the thermoelectric, electronic and optical response of Yb14MnSb11/AlSb9Yb11 heterostructures – A theoretical study
Kiarii, EM
;
Govender, Krishna
;
Mamo, MA
;
Govender, PP
(
Elsevier BV
,
2019-01
)
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Author
Govender, Krishna (4)
Govender, PP (4)
Kiarii, EM (2)
Olasunkanmi, LO (2)
Wahab, OO (2)
Mamo, MA (1)
Subject
Aqueous solubility (2)
Azo dye (2)
Heterostructures (2)
Absorption wavelength (1)
Chemical reactivity (1)
Clathrate (1)
COSMO solvent radius and global orbital cut-off (1)
COSMO-RS (1)
Density functional theory (1)
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Date Issued
2019 (4)
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Article (4)
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