Core Excitations of Uranyl in Cs2UO2Cl4 from Relativistic Embedded Damped Response Time-Dependent Density Functional Theory Calculations WA Misael, A Severo Pereira Gomes Inorganic Chemistry 62 (29), 11589-11601, 2023 | 11* | 2023 |
Insights into the Phosphate Species on Niobia Treated with H3PO4 AS Rocha, GC Costa, LRR de Araujo, WA Misael, RR Oliveira, AB Rocha Catalysis Letters 150, 1496-1504, 2020 | 4 | 2020 |
Electronic structure of uranyl complexes probed by valence and X-ray spectroscopy V Vallet, WA Misael, H Oher, RE Wilson, ASP Gomes 2024 MRS Spring Meeting, 2024 | | 2024 |
Redox and Speciation Behavior of Plutonium in Mineralogically Complex Systems: The Role of Aluminum-substitution in Iron (oxyhydr) oxides MR Vejar University of Notre Dame, 2024 | | 2024 |
L’interaction des rayons X avec des molécules à travers le prisme de la théorie de la structure électronique relativiste W Aldair Misael | | 2023 |
Shedding X-rays on molecules through the lenses of relativistic electronic structure theory WA Misael Université de Lille, 2023 | | 2023 |
The electronic structure of actinides tailored by relativistic quantum chemistry approaches: applications to X-ray spectroscopies WA Misael, V Vallet, ASP Gomes European Conference on Computational and Theoretical Chemistry (CompChem 2023), 2023 | | 2023 |
Redox behaviour of plutonium in the presence of Al-doped iron oxide mineral surfaces: a solid-phase perspective using HERFD-XANES MR Vejar, FE Zengotita, S Weiss, SSA Azzam, L Amidani, EF Bazarkina, ... Goldschmidt 2023 Conference, 2023 | | 2023 |
Core excitations and ionizations of uranyl in CsUOCl from relativistic embedded damped response time-dependent density functional theory and equation of … W Aldair Misael, A Severo Pereira Gomes arXiv e-prints, arXiv: 2302.07223, 2023 | | 2023 |
X-ray Absorption Spectra and Photoionization of Actinide Compounds with Relativistic Electronic Structure Approaches WA Misael, ASP Gomes ATAS-AnXAS, 2022 | | 2022 |
Molecular Orientation and Femtosecond Electron Transfer Dynamics in Halogenated and Nonhalogenated, Eco-Friendly Processed PTB7-Th, ITIC, PTB7-Th: ITIC, and PTB7-Th: PCBM Films WA Misael, EV Péan, BGAL Borges, GC Mello, L Wouk, ML Davies, ... The Journal of Physical Chemistry C 126 (26), 10807-10817, 2022 | | 2022 |
Recent Progress in the Development of Eco-Friendly Processed Organic Solar Cells: Experiments and Theory WA Misael GDR NBODY GENERAL MEETING 2022, 2022 | | 2022 |
Core-Level X-Ray Spectroscopies With Relativistic Hamiltonians: The Uranyl Ion Case WA Misael, ASP Gomes 57th Symposium on Theoretical Chemistry-Universität Würzburg, 2021 | | 2021 |
Relativistic Equation-of-Motion Coupled-Cluster Calculations at the Uranium L-edge WA Misael, ASP Gomes CONEXS Conference 2021: Emerging Trends in X-Ray Spectroscopy., 2021 | | 2021 |
Electronic Structure, Core-Valence Spectroscopy and Femtosecond Charge Transfer Dynamics of Organic Solar Cells Active Layer Components PTB7-Th and ITIC WA Misael, LCW de Menezes, L Stolz, MLRD Pereira, WA Misael, ... Journées Théorie, Modélisation et Simulation 2020, 2020 | | 2020 |
Insights into the Phosphate Species on Niobia Treated with H AS Rocha, GC Costa, LRR de Araujo, WA Misael, RR Oliveira, AB Rocha | | 2019 |
Estudo de transições vibrônicas em moléculas WA Misael Universidade Federal do Rio de Janeiro, 2018 | | 2018 |