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Corrosion Inhibition of Aluminium in Gas and Acid Media by Some Chalcone-Based N-(3-Aminopropyl)Imidazoles: TD-DFT-Based FMO, Conceptual DFT, QTAIM and EDA Studies
(Articles)
Fritzgerald Kogge Bine
,
Stanley Numbonui Tasheh
,
Nyiang
Kennet
Nkungli
Computational Chemistry
Vol.9 No.1
,January 5, 2021
DOI:
10.4236/cc.2021.91003
422
Downloads
1,352
Views
Citations
DFT and TD-DFT Study of Bis[2-(5-Amino-[1,3,4]-Oxadiazol-2-yl) Phenol](Diaqua)M(II) Complexes [M = Cu, Ni and Zn]: Electronic Structures, Properties and Analyses
(Articles)
Nyiang
Kennet
Nkungli
,
Julius Numbonui Ghogomu
,
Ludovid Ngouo Nogheu
,
Shridhar Ramachandra Gadre
Computational Chemistry
Vol.3 No.3
,October 28, 2015
DOI:
10.4236/cc.2015.33005
4,115
Downloads
6,094
Views
Citations
Structural, Spectral (IR and UV/Visible) and Thermodynamic Properties of Some 3d Transition Metal(II) Chloride Complexes of Glyoxime and Its Derivatives: A DFT and TD-DFT Study
(Articles)
Ludovid Ngouo Nogheu
,
Julius Numbonui Ghogomu
,
Desire Bikele Mama
,
Nyiang
Kennet
Nkungli
,
Elie Younang
,
Shridhar Ramachandra Gadre
Computational Chemistry
Vol.4 No.4
,October 25, 2016
DOI:
10.4236/cc.2016.44011
1,915
Downloads
3,614
Views
Citations
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