Active Filters

  • (-) PSI Authors = Ramanantoanina, Harimbola
Search Results 1 - 10 of 10
  • RSS Feed
Select Page
Deciphering the Phillips catalyst by orbital analysis and supervised machine learning from Cr pre-edge XANES of molecular libraries
Trummer, D., Searles, K., Algasov, A., Guda, S. A., Soldatov, A. V., Ramanantoanina, H., … Copéret, C. (2021). Deciphering the Phillips catalyst by orbital analysis and supervised machine learning from Cr pre-edge XANES of molecular libraries. Journal of the American Chemical Society, 143(19), 7326-7341. https://doi.org/10.1021/jacs.0c10791
Electronic structure and photoluminescence properties of Eu(<em>ƞ</em><sup>9</sup>-C<sub>9</sub>H<sub>9</sub>)<sub>2</sub>
Ramanantoanina, H., Merzoud, L., Muya, J. T., Chermette, H., & Daul, C. (2020). Electronic structure and photoluminescence properties of Eu(ƞ9-C9H9)2. Journal of Physical Chemistry A, 124(1), 152-164. https://doi.org/10.1021/acs.jpca.9b09755
Theoretical insight into the magnetic circular dichroism of uranium N<sub>6,7</sub>-edge X-ray absorption
Ramanantoanina, H., & Gruden, M. (2020). Theoretical insight into the magnetic circular dichroism of uranium N6,7-edge X-ray absorption. International Journal of Quantum Chemistry, 120(3), e26081 (8 pp.). https://doi.org/10.1002/qua.26081
Non-empirical calculation of X-ray magnetic circular dichroism in lanthanide compounds
Ramanantoanina, H., Studniarek, M., Daffé, N., & Dreiser, J. (2019). Non-empirical calculation of X-ray magnetic circular dichroism in lanthanide compounds. Chemical Communications, 55(20), 2988-2991. https://doi.org/10.1039/C8CC09321K
Study of electronic structure in the L-edge spectroscopy of actinide materials: UO<sub>2</sub> as an example
Ramanantoanina, H., Kuri, G., Martin, M., & Bertsch, J. (2019). Study of electronic structure in the L-edge spectroscopy of actinide materials: UO2 as an example. Physical Chemistry Chemical Physics, 21(15), 7789-7801. https://doi.org/10.1039/c9cp01021a
Chemical state and atomic scale environment of nickel in the corrosion layer of irradiated Zircaloy-2 at a burn-up around 45 MWd/kg
Kuri, G., Ramanantoanina, H., Bertsch, J., Martin, M., & Panas, I. (2018). Chemical state and atomic scale environment of nickel in the corrosion layer of irradiated Zircaloy-2 at a burn-up around 45 MWd/kg. Corrosion Science, 143, 200-211. https://doi.org/10.1016/j.corsci.2018.08.032
A DFT-based theoretical model for the calculation of spectral profiles of lanthanide M<sub>4,5</sub>-edge x-ray absorption
Ramanantoanina, H. (2018). A DFT-based theoretical model for the calculation of spectral profiles of lanthanide M4,5-edge x-ray absorption. Journal of Chemical Physics, 149(5), 054104 (12 pp.). https://doi.org/10.1063/1.5043052
Behavior of solute Ni in the corrosion layer of irradiated Zircaloy-2 cladding: a hydrogen uptake perspective
Kuri, G., Ramanantoanina, H., Martin, M., & Bertsch, J. (2017). Behavior of solute Ni in the corrosion layer of irradiated Zircaloy-2 cladding: a hydrogen uptake perspective. Presented at the Water reactor fuel performance meeting 2017 (WRFPM 2017). Jeju, Korea.
On the calculation of multiplet energies of three-open-shell 4f<sup>13</sup>5f<em><sup>n</sup></em>6d<sup>1</sup> electron configuration by LFDFT: modeling the optical spectra of 4f core-electron excitation
Ramanantoanina, H. (2017). On the calculation of multiplet energies of three-open-shell 4f135fn6d1 electron configuration by LFDFT: modeling the optical spectra of 4f core-electron excitation in actinide compounds. Physical Chemistry Chemical Physics, 19(48), 32481-32491. https://doi.org/10.1039/c7cp06198f
Core electron excitations in U<sup>4+</sup>: modelling of the <em>n</em>d<sup>10</sup>5f<sup>2</sup> → <em>n</em>d<sup>9</sup>5f<sup>3</sup> transitions with <em>n&l
Ramanantoanina, H., Kuri, G., Daul, C., & Bertsch, J. (2016). Core electron excitations in U4+: modelling of the nd105f2nd95f3 transitions with n = 3, 4 and 5 by ligand field tools and density functional theory. Physical Chemistry Chemical Physics, 18(28), 19020-19031. https://doi.org/10.1039/c6cp01395c