Influence of anionic species on the molecular structure, nature of bonding, reactivity, and stability of ionic liquids-based on 1-butyl-3-methylimidazolium

MI Ofem, CA Ayi, H Louis, TE Gber, AA Ayi - Journal of Molecular Liquids, 2023 - Elsevier
The unique physicochemical properties of ionic liquids (ILs) have positioned them as a
significant class of solvents, making them a subject of considerable interest. In this …

Studies on transition metals (Rh, Ir, Co) doped silicon carbide nanotubes (SiCNT) for the detection and adsorption of acrolein: Insight from DFT approach

I Oyo-Ita, H Louis, VC Nsofor, HO Edet, TE Gber… - Materials Science and …, 2023 - Elsevier
The remarkable ability for gas sensors to detect pollutants makes the development of
sensors an interesting one. Employing the density functional theory at the DFT/ωB97XD/def2 …

Molecular modeling of the structural, electronic, excited state dynamic, and the photovoltaic properties of the oligomers of n-corannulene (n= 1–4)

H Hadi, H Louis, TE Gber, FO Ogungbemiro - Heliyon, 2023 - cell.com
Despite the fact that n-corannulene oligomers (n= 1–4) have a variety of electronic and
optical properties, including the ability to be tuned and the potential to be used as light …

[HTML][HTML] Phosphorus encapsulated gallium nitride and aluminum nitride nanotubes as nonenzymatic sensors for fructose, glucose, and xylose sugars as biomarkers …

A Imojara, JE Ishegbe, H Abdullah, HO Edet… - Chemical Physics …, 2023 - Elsevier
Excessive sugar consumption has been correlated with various adverse health outcomes,
encompassing both short-term and long-term implications for human well-being. Traditional …

[HTML][HTML] Antilymphoma activities of benzo bisthiazole derivative by molecular docking, impact of solvation, quantum chemical study, and spectroscopic (FT-IR, UV …

UJ Undiandeye, BE Inah, OC Godfrey, W Emori… - Chemical Physics …, 2023 - Elsevier
Lymphoma, a type of cancer that affects the lymphatic system—an essential element of the
body's immune defense—has captured increased interest from modern researchers. This …

Hydrothermal Synthesis, crystal structure, DFT studies, and molecular docking of Zn-BTC MOF as potential antiprotozoal agents

CA Anyama, H Louis, BE Inah, TE Gber, JO Ogar… - Journal of Molecular …, 2023 - Elsevier
Abstract Zinc (II)-1, 3, 5-benzenetricarboxylate with the composition [Zn 3 (BTC)(HBTC) 2 (H
2 O) 6]· 2H 2 O herein referred to as Zn-BTC MOF was obtained as a nanocomposite under …

[PDF][PDF] Chemical Physics Impact

UJ Undiandeye, BE Inah, OC Godfrey, W Emori, I Anna… - researchgate.net
Lymphoma, a type of cancer that affects the lymphatic system—an essential element of the
body's immune defense—has captured increased interest from modern researchers. This …