| Computational design and molecular modeling of the interaction of nicotinic acid hydrazide nickel-based complexes with H 2 S gas H Louis, D Etiese, TO Unimuke, AE Owen, AO Rajee, TE Gber, CM Chima, ... RSC advances 12 (47), 30365-30380, 2022 | 33 | 2022 |
| Adsorption mechanism of AsH3 pollutant on metal-functionalized coronene C24H12-X (X= Mg, Al, K) quantum dots EC Agwamba, AD Udoikono, H Louis, GE Mathias, I Benjamin, ... Chemical Physics Impact 6, 100224, 2023 | 9 | 2023 |
| Investigating the intermolecular interactions in the explicitly solvated complexes of lomustine with water and ethanol EED Okon, H Louis, D Etiese, TO Unimuke, GE Mathias, EA Eno, ... Chemical Physics Impact 7, 100243, 2023 | 3 | 2023 |
| Density Functional Theory Computation of the Electronic, Elastic, Phonon, X-ray Spectroscopy, and the Optoelectronic Properties of CsXI 3 (X: Si, Ge, Sn) Halide Perovskite … SA Adalikwu, H Louis, D Etiese, UG Chukwu, EC Agwamba Journal of Computational Biophysics and Chemistry 22 (08), 1081-1095, 2023 | 2 | 2023 |
| Ab-initio study of structural, electronic, phonon, X-ray spectroscopy, and the optoelectronic properties of D-block metals (Cr, Mn, Co, and Ni) substitution of barium oxide … EA Eno, D Etiese, K Pathmanathan, EC Agwamba, UG Chukwu, TO Magu, ... Chemical Physics Impact 7, 100321, 2023 | 2 | 2023 |
| Novel engineering of single-metals (TM: Cr, Mo, W) chemical tailoring of Pt-encapsulated fullerenes (Pt@ C59TM) as dual sensors for H2CO and H2S gases: A theoretical study D Etiese, IO Amodu, HO Edet, AS Adeyinka, H Louis Chemical Papers, 1-15, 2024 | | 2024 |
