| Mn environment in doped SrTiO3 revealed by first-principles calculation of hyperfine splittings GM Repa, LA Fredin Applied Physics Letters 121 (2), 2022 | 8 | 2022 |
| Elucidation of complex triplet excited state dynamics in Pd (II) biladiene tetrapyrroles SM Martin, GM Repa, RC Hamburger, CA Pointer, K Ward, TN Pham, ... Physical Chemistry Chemical Physics 25 (3), 2179-2189, 2023 | 7 | 2023 |
| Atomic-Layer-Deposited Aluminum Oxide Thin Films Probed with X-ray Scattering and Compared to Molecular Dynamics and Density Functional Theory Models A Pugliese, B Shyam, GM Repa, AH Nguyen, A Mehta, EB Webb III, ... ACS omega 7 (45), 41033-41043, 2022 | 7 | 2022 |
| Controlling product selectivity in oxidative desulfurization using an electrodeposited iron oxide film V Kompanijec, GM Repa, LA Fredin, JR Swierk Dalton Transactions 52 (28), 9646-9654, 2023 | 5 | 2023 |
| Parameter space exploration reveals interesting Mn-doped SrTiO 3 structures GM Repa, LA Fredin Physical Chemistry Chemical Physics 23 (41), 23486-23500, 2021 | 5 | 2021 |
| Proton-controlled non-exponential photoluminescence in a pyridylamidine-substituted Re (I) complex SM Martin, AN Oldacre, CA Pointer, T Huang, GM Repa, LA Fredin, ... Dalton Transactions 50 (21), 7265-7276, 2021 | 2 | 2021 |
| Lessons Learned from Catalysis to Qubits: General Strategies to Build Accessible and Accurate First-Principles Models of Point Defects GM Repa, LA Fredin The Journal of Physical Chemistry C 127 (45), 21930-21939, 2023 | 1 | 2023 |
| Predicting Electronic Structure of Realistic Amorphous Surfaces GM Repa, LA Fredin Advanced Theory and Simulations 6 (11), 2300292, 2023 | 1 | 2023 |
| Capturing experimental properties in computationally efficient faceted titania nanoparticle models GM Repa, LA Fredin International Journal of Quantum Chemistry 123 (7), e27062, 2023 | 1 | 2023 |
| Adsorption and Disproportionation of Carbon Monoxide on Faceted-Gold Surfaces and Edges D Khayata, GM Repa, LA Fredin Surface Science, 122533, 2024 | | 2024 |
| A-Site Doping to Alter Oxygen Vacancy Diffusion in SrTiO3 GM Repa, ZJ Knepp, LA Fredin ACS Omega, 2024 | | 2024 |
| A Deeper Understanding of Material Properties Through Computational Model Development GM Repa Lehigh University, 2024 | | 2024 |
| Predicting Electronic Structure of Realistic Amorphous Surfaces (Adv. Theory Simul. 11/2023) GM Repa, LA Fredin Advanced Theory and Simulations 6 (11), 2370024, 2023 | | 2023 |
| Controlling Product Selectivity in Oxidative Desulfurization Using an Electrodeposited Iron Film V Kompanijec, G Repa, L Fredin, J Swierk | | 2022 |
| rsc. li/pccp GM Repa, LA Fredin | | 2021 |
| Adsorption and Disproportionation of Carbon Monoxide on Faceted-Gold Surfaces and Edges LA Fredin, D Khayata, GM Repa Available at SSRN 4734407, 0 | | |
