Rawlings A. Timothy

Molecular Modeling of the Spectroscopic, Structural, and Bioactive Potential of Tetrahydropalmatine: Insight from Experimental and Theoretical Approach

Wilfred Emori, Hitler Louis, Stephen A. Adalikwu et al. · Polycyclic aromatic compounds · 2022 · 53 citations

Theoretical Inorganic Chemistry, Organic Chemistry, Chemistry +20

Elucidation of collagen amino acid interactions with metals (B, Ni) encapsulated graphene/PEDOT material: Insight from DFT calculations and MD simulation

Rawlings A. Timothy, Hitler Louis, Eze A. Adindu et al. · Journal of Molecular Liquids · 2023 · 31 citations

Materials Science, Graphene Nanomeshes, Graphene-based Nano-antennas +12

Understanding the influence of alkyl-chains and hetero-atom (C, S, O) doped electron-acceptor fullerene-free benzothiazole for application in organic solar cell: first principle perception

Hitler Louis, Ededet A. Eno, Rawlings A. Timothy et al. · Optical and Quantum Electronics · 2022 · 26 citations

Organic Charge-transfer Compound, Chemical Engineering, Engineering +9

Investigating the structure, bonding, and energy decomposition analysis of group 10 transition metal carbonyls with substituted terminal germanium chalcogenides [M(CO)3GeX] (M = Ni, Pd, and Pt; X = O, S, Se, and Te) complexes: insight from first-principles calculations

R. Rameshbabu Priyadharsan, Rawlings A. Timothy, Jisha Mary Thomas et al. · Journal of Molecular Modeling · 2023 · 12 citations

Materials Science, Inorganic Chemistry, Transition Metal Carbonyls +11

RETRACTED: Theoretical modelling of the structure, reactivity, and the application of Co (II), Cu (II), and Ni (II) Schiff base complexes as sensor materials for phosgene (COCl2) gas

Celine K. Ngwang, Felicite Majoumo‐Mbe, Emmanuel N. Nfor et al. · Chemical Physics Impact · 2023 · 10 citations · Full text