Harry Ramanantoanina

The Amsterdam Modeling Suite

Evert Jan Baerends, Néstor F. Aguirre, N. Austin et al. · The Journal of Chemical Physics · 2025 · 113 citations · Full text

Natural Sciences, Chemistry, Materials Science +17

2p x-ray absorption spectroscopy of 3d transition metal systems

Frank M. F. de Groot, Hebatalla Elnaggar, Federica Frati et al. · Journal of Electron Spectroscopy and Related Phenomena · 2021 · 110 citations · Full text

Natural Sciences, Chemistry, Physics +17

Deciphering the Phillips Catalyst by Orbital Analysis and Supervised Machine Learning from Cr Pre-edge XANES of Molecular Libraries

David Trummer, Keith Searles, Alexander Algasov et al. · Journal of the American Chemical Society · 2021 · 73 citations · Full text

Natural Sciences, Chemistry, Materials Science +17

Ligand field density functional theory calculation of the 4f2 → 4f15d1 transitions in the quantum cutter Cs2KYF6:Pr3+

Harry Ramanantoanina, Werner Urland, Fanica Cimpoesu et al. · Physical Chemistry Chemical Physics · 2013 · 53 citations · Full text

Natural Sciences, Materials Science, Physics +15

Prospecting Lighting Applications with Ligand Field Tools and Density Functional Theory: A First-Principles Account of the 4f⁷–4f⁶5d¹ Luminescence of CsMgBr₃:Eu²⁺

Harry Ramanantoanina, Fanica Cimpoesu, Christian Göttel et al. · Inorganic Chemistry · 2015 · 41 citations

Natural Sciences, Chemistry, Materials Science +17