검색결과 : 3건
| No. | Article |
|---|---|
| 1 |
Mechanistic Insights into Co and Fe Quaterpyridine-Based CO2 Reduction Catalysts: Metal-Ligand Orbital Interaction as the Key Driving Force for Distinct Pathways Loipersberger M, Cabral DGA, Chu DBK, Head-Gordon M Journal of the American Chemical Society, 143(2), 744, 2021 |
| 2 |
Computational Study of an Iron(II) Polypyridine Electrocatalyst for CO2 Reduction: Key Roles for Intramolecular Interactions in CO2 Binding and Proton Transfer Loipersberger M, Zee DZ, Panetier JA, Chang CJ, Long JR, Head-Gordon M Inorganic Chemistry, 59(12), 8146, 2020 |
| 3 |
Energy Decomposition Analysis for Interactions of Radicals: Theory and Implementation at the MP2 Level with Application to Hydration of Halogenated Benzene Cations and Complexes between CO2-center dot and Pyridine and Imidazole Loipersberger M, Lee J, Mao YZ, Das AK, Ikeda K, Thirman J, Head-Gordon T, Head-Gordon M Journal of Physical Chemistry A, 123(44), 9621, 2019 |