| Importance of self-interaction-error removal in density functional calculations on water cluster anions J Vargas, P Ufondu, T Baruah, Y Yamamoto, KA Jackson, RR Zope Physical Chemistry Chemical Physics 22 (7), 3789-3799, 2020 | 45 | 2020 |
| Investigating the electronic properties of novel titanium oxonitridophosphate, Ti 5 P 12 N 24 O 2, through structural distortions at the titanium sites P Ufondu, TD Boyko, MM Pointner, L Eisenburger, W Schnick, A Moewes Journal of Materials Chemistry C 12 (12), 4392-4398, 2024 | 7 | 2024 |
| Vertical detachment energies of ammonia cluster anions using self-interaction-corrected methods P Ufondu, PH Chang, T Baruah, RR Zope The Journal of Chemical Physics 158 (16), 2023 | 5 | 2023 |
| Lone Pair and Unique N‐Bridging of Novel Titanium Nitridophosphate P Ufondu, Sakshi, TD Boyko, MM Pointner, W Schnick, A Moewes Advanced Science 12 (13), 2412830, 2025 | 4 | 2025 |
| Bonding profiling of gapless ceramic V 2 GaC/N MAX phases: a spectroscopic and dual theoretical approach P Ufondu, TD Boyko, N Kubitza, CS Birkel, A Moewes Materials Advances 6 (16), 5568-5575, 2025 | 2 | 2025 |
| The Interplay of Selective Occupation and Magnetic Properties of High Entropy Spinel Oxides CM Meier, TD Boyko, DT Teppala, P Ufondu, E Ionescu, A Moewes Available at SSRN 5148472, 0 | 2* | |
| Unraveling the eg Orbital Splitting in TiO2: The Role of Local Distortion in Ligand Field Multiplet Theory P Ufondu, TD Boyko, Saloni, OO Daudu, A Moewes The Journal of Physical Chemistry C 129 (32), 14524-14529, 2025 | 1 | 2025 |
| Electron Binding Energy of Polar Molecules Using Fermi Lӧwdin Orbital Self Interaction Corrected Density Functional Scheme PO Ufondu The University of Texas at El Paso, 2019 | 1 | 2019 |
| Polarizability of Polymers Using One-Electron Self-Interaction-Corrected Density Functional Methods P Mishra, Y Yamamoto, P Ufondu, T Baruah, RR Zope The Journal of Physical Chemistry A, 2025 | | 2025 |
| Electronic Structure and Properties of Ti-and V-Based Oxides, Carbides, and Nitrides P Ufondu | | 2025 |
| The Interplay of Selective Occupation and Magnetic Properties of High Entropy Spinel Oxides CM Meier, TD Boyko, DT Teppala, P Ufondu, E Ionescu, A Moewes Journal of Alloys and Compounds, 181224, 2025 | | 2025 |
| Study of weakly bound cluster anions using locally scaled and Perdew-Zunger self-interaction-correction methods. P Ufondu, J Vargas, Y Yamamoto, T Baruah, R Zope Bulletin of the American Physical Society 66, 2021 | | 2021 |
| Study of Weakly Bound Cluster Anions Using Self Interaction Corrected Density Functional Scheme PO Ufondu The University of Texas at El Paso, 2021 | | 2021 |
| Study of water cluster anions using the self-interaction corrected density functional approximations J Vargas, P Ufondu, T Baruah, K Jackson, R Zope Bulletin of the American Physical Society 65, 2020 | | 2020 |
| Supplementary information for” The interplay of selective occupation and magnetic properties of high entropy spinel oxides” CM Meier, TD Boyko, DT Teppala, P Ufondu, E Ionescu, A Moewes | | |
