Combined Experimental and Computational Study of V-Substituted Lindqvist Polyoxotungstate: Screening by Docking for Potential Antidiabetic Activity

por Maalaoui, Ahlem, Agwamba, Ernest C., Louis, Hitler, Mathias, Gideon E., Rzaigui, Mohamed, Akriche, Samah
Publicado 2023

High throughput computations of the effective removal of liquified gases by novel perchlorate hybrid material

por Unimuke, Tomsmith O., Louis, Hitler, Ikenyirimba, Onyinye J., Mathias, Gideon E., Adeyinka, Adedapo S., Nasr, Chérif Ben
Publicado 2023

Electrocatalytic activity of metal encapsulated, doped, and engineered fullerene-based nanostructured materials towards hydrogen evolution reaction

por Louis, Hitler, Ikenyirimba, Onyinye J., Unimuke, Tomsmith O., Mathias, Gideon E., Gber, Terkumbur E., Adeyinka, Adedapo S.
Publicado 2022

Molecular Simulation of the Interaction of Diclofenac with Halogen (F, Cl, Br)-Encapsulated Ga(12)As(12) Nanoclusters

por Nwobodo, Ikechukwu C., Louis, Hitler, Unimuke, Tomsmith O., Ikenyirimba, Onyinye J., Iloanya, Anthony C., Mathias, Gideon E., Osabor, Vincent N., Ahuekwe, Eze F., Adeyinka, Adedapo S.
Publicado 2023

Interaction of 5-Fluorouracil on the Surfaces of Pristine and Functionalized Ca(12)O(12) Nanocages: An Intuition from DFT

por Ogunwale, Goodness J., Louis, Hitler, Unimuke, Tomsmith O., Mathias, Gideon E., Owen, Aniekan E., Edet, Henry O., Enudi, Obieze C., Oluwasanmi, Esther O., Adeyinka, Adedapo S., Doust Mohammadi, Mohsen
Publicado 2023