Nyiang Kennet Nkungli

Theoretical analysis of the binding of iron(III) protoporphyrin IX to 4-methoxyacetophenone thiosemicarbazone via DFT-D3, MEP, QTAIM, NCI, ELF, and LOL studies

Nyiang Kennet Nkungli, Julius Numbonui Ghogomu · Journal of Molecular Modeling · 2017 · 135 citations

Natural Sciences, Chemistry, Medicinal Chemistry +10

Novel pull–push organic switches with D–π–A structural designs: computational design of star shape organic materials

Abrar U. Hassan, Ayesha Mohyuddin, Cihat Güleryüz et al. · Structural Chemistry · 2022 · 37 citations

Natural Sciences, Chemistry, Materials Science +9

DFT investigation on the application of pure and doped X₁₂N₁₂(X = B and Al) fullerene-like nano-cages toward the adsorption of temozolomide

Brice Laure Ndjopme Wandji, Aymard Didier Tamafo Fouégué, Nyiang Kennet Nkungli et al. · Royal Society Open Science · 2022 · 34 citations · Full text

Natural Sciences, Chemistry, Physics +17

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

Nyiang Kennet Nkungli, Julius Numbonui Ghogomu, Ludovid Ngouo Nogheu et al. · Computational Chemistry · 2015 · 31 citations · Full text

Natural Sciences, Physics, Computational Chemistry +16

Molecular modeling of mordant black dye for future applications as visible light harvesting materials with anchors: design and excited state dynamics

Abrar U. Hassan, Sajjad Hussain Sumrra, Ghulam Mustafa et al. · Journal of Molecular Modeling · 2023 · 30 citations

Natural Sciences, Chemistry, Materials Science +17