| DFT calculations of the structural, electronic, optical and vibrational properties of anhydrous orthorhombic L-threonine crystals RL Araújo, MS Vasconcelos, CA Barboza, JXL Neto, EL Albuquerque, ... Computational and Theoretical Chemistry 1170, 112621, 2019 | 23 | 2019 |
| Insights into solid-state properties of dopamine and L-Dopa hydrochloride crystals through DFT calculations RL Araújo, JXL Neto, JM Henriques, RM Tromer, CA Barboza, ... Chemical Physics Letters 761, 138033, 2020 | 15 | 2020 |
| DFT investigation of the solid-state properties and Hirshfeld surface analysis of antidiabetic drugs: Acetohexamide and Tolazamide RL Araújo, JXL Neto, UL Fulco, JIN Oliveira, ML Lyra, V Manzoni Chemical Physics Letters 833, 140934, 2023 | 3 | 2023 |
| Investigation of protein-protein interactions and hotspot region on the NSP7-NSP8 binding site in NSP12 of SARS-CoV-2 JX Lima Neto, KS Bezerra, ED Barbosa, RL Araujo, DS Galvão, ML Lyra, ... Frontiers in molecular biosciences 10, 1325588, 2024 | 2 | 2024 |
| First-principles study of solid-state properties of adrenergic neurotransmitters, orthorhombic noradrenaline, and monoclinic adrenaline RL Araújo, JX Lima Neto, CA Barboza, JIN Oliveira, RM Tromer, ... Journal of applied physics 129 (23), 2021 | 2 | 2021 |
| Propriedades estruturais, eletrônicas, ópticas e vibracionais do cristal ltreonina: simulações computacionais no formalismo DFT RL Araújo | 1 | 2017 |
| First-principles study of the physical properties and Hirshfeld surface analysis of the antidepressants duloxetine and sertraline RL Araújo, JX Lima Neto, UL Fulco, JIN Oliveira, EL Albuquerque, ... Physical Review B 110 (24), 245130, 2024 | | 2024 |
| Estudo das propriedades óptico-eletrônicas de neurotransmissores RL Araújo | | 2022 |
| Raman Spectroscopy of a Biosignature for an Early Diagnosis of Alzheimer's Disease Via DFT C Barboza, PD Sesion, UL Fulco, RL Araújo, PLB Inácio Available at SSRN 4369151, 0 | | |