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Wilken Aldair Misael
Wilken Aldair Misael
Ph.D in Physics
在 univ-lille.fr 的电子邮件经过验证
标题
引用次数
引用次数
年份
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
42020
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
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