Performance of density functional theory for describing hetero-metallic active-site motifs for methane-to-methanol conversion in metal-exchanged zeolites. - Naveen K. Dandu; Olajumoke Adeyiga; Dipak Panthi; Shaina A. Bird; Samuel O. Odoh (J. Comput. Chem., 2018)

Machine Learning-Corrected Simplified Time-Dependent DFT for Systems With Inverted Single-t-o-Triplet Gaps of Interest for Photocatalytic Water Splitting. - Kevin Curtis; Samuel O. Odoh (J. Comput. Chem., 2025)

Impact of Structure on Excitation Energies and S1-T1 Energy Gaps of Asymmetrical Systems of Interest for Inverted Singlet-Triplet Gaps. - Gideon Odonkor; Samuel O. Odoh (J. Comput. Chem., 2025)