Time-dependent density functional theory study of copper (II) oxo active sites for methane-to-methanol conversion in zeolites K Curtis, D Panthi, SO Odoh Inorganic Chemistry 60 (2), 1149-1159, 2021 | 15 | 2021 |
Nitrogen Reduction by Multimetallic trans-Uranium Actinide Complexes: A Theoretical Comparison of Np and Pu to U D Panthi, O Adeyiga, NK Dandu, SO Odoh Inorganic Chemistry 58 (10), 6731-6741, 2019 | 14 | 2019 |
Methane C–H Activation by [Cu2O]2+ and [Cu3O3]2+ in Copper-Exchanged Zeolites: Computational Analysis of Redox Chemistry and X-ray Absorption … O Suleiman, D Panthi, O Adeyiga, SO Odoh Inorganic Chemistry 60 (9), 6218-6227, 2021 | 12 | 2021 |
Performance of density functional theory for describing hetero‐metallic active‐site motifs for methane‐to‐methanol conversion in metal‐exchanged zeolites NK Dandu, O Adeyiga, D Panthi, SA Bird, SO Odoh Journal of computational chemistry 39 (32), 2667-2678, 2018 | 12 | 2018 |
Membrane-modified electrocatalysts for nitrate reduction to ammonia with high faradaic efficiency P Mondol, D Panthi, AJA Ayala, SO Odoh, CJ Barile Journal of Materials Chemistry A 10 (42), 22428-22436, 2022 | 9 | 2022 |
Copper-Oxo Active Sites in the 8MR of Zeolite Mordenite: DFT Investigation of the Impact of Acid Sites on Methanol Yield and Selectivity O Suleiman, O Adeyiga, D Panthi, SO Odoh The Journal of Physical Chemistry C 125 (12), 6684-6693, 2021 | 8 | 2021 |
Heterometallic [Cu–O–M] 2+ active sites for methane C–H activation in zeolites: stability, reactivity, formation mechanism and relationship to other active sites O Adeyiga, D Panthi, SO Odoh Catalysis Science & Technology 11 (16), 5671-5683, 2021 | 8 | 2021 |
DFT Analysis of Methane C−H Activation and Over‐Oxidation by [Cu2O]2+ and [Cu2O2]2+ Sites in Zeolite Mordenite: Intra‐ versus Inter‐site Over‐Oxidation D Panthi, O Adeyiga, SO Odoh ChemPhysChem 22 (24), 2517-2525, 2021 | 4 | 2021 |
Activating Water and Hydrogen by Ligand-Modified Uranium and Neptunium Complexes: A Density Functional Theory Study O Adeyiga, D Panthi, O Suleiman, D Stetler, RW Long, SO Odoh Inorganic Chemistry 59 (5), 3102-3109, 2020 | 4 | 2020 |
Department of Chemistry, University of Nevada Reno, 1664 N. Virginia Street, Reno, NV 89557-0216 D Panthi, O Adeyiga, SO Odoh Small Molecule Activation by Actinide Species and Transition Metal Species, 38, 2022 | | 2022 |
Department of Chemistry, University of Nevada Reno, 1664 N. Virginia Street, Reno, NV 89557-0216 O Suleiman, D Panthi, O Adeyiga, SO Odoh Small Molecule Activation by Actinide Species and Transition Metal Species, 101, 2022 | | 2022 |
Small Molecule Activation by Actinide Species and Transition Metal Species D Panthi University of Nevada, Reno, 2022 | | 2022 |
Cover Feature: DFT Analysis of Methane C−H Activation and Over‐Oxidation by [Cu2O]2+ and [Cu2O2]2+ Sites in Zeolite Mordenite: Intra‐ versus Inter‐site … D Panthi, O Adeyiga, SO Odoh ChemPhysChem 22 (24), 2494-2494, 2021 | | 2021 |
DFT Analysis of Methane C-H Activation and Over-Oxidation by [Cu2 O]2+ and [Cu2 O2 ]2+ Sites in Zeolite Mordenite: Intra- versus Inter-site Over-Oxidation. D Panthi, O Adeyiga, SO Odoh Chemphyschem: a European Journal of Chemical Physics and Physical Chemistry …, 2021 | | 2021 |
Small molecule activation by actinide species O Suleiman, D Panthi, O Adeyiga, S Odoh American Chemical Society SciMeetings 1 (2), 2020 | | 2020 |
Environmental effects on the active site formation, regeneration and reactivities in copper-exchanged zeolites O Suleiman, D Panthi, O Adeyiga, S Odoh American Chemical Society SciMeetings 1 (2), 2020 | | 2020 |
Accurate computation of the spin state energetics of transition metal complexes. Role of exchange-correlation functional, scalar-relativistic effects and solvent effects … N Dandu, O Adeyiga, D Panthi, S Odoh ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 256, 2018 | | 2018 |
Fabrication and Application of Fluoropolymer-Modified Electrocatalysts to Produce NH 3 with High Faradaic Efficiency from Nitrate Reduction P Mondol, D Panthi, A Ayala, S Odoh, C Barile | | |