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J

João B. L. Martins

university of brasilia

23H指数
189论文数
1.9K被引数
收录论文 19
发表时间
NCIVISION: A Siamese Neural Network for Molecular Similarity Prediction MEP and RDG ImagesNCIVISION:一种用于分子相似性预测的孪生神经网络MEP和RDG图像
err2026-03-03
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errOAAI
errRafael Campos Vieira; Letícia de A. Nascimento; Arthur Alves Nascimento; Nicolas Ricardo de Melo Alves; Érica C. M. Nascimento; João B. L. Martins
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Dimers involving methane: Strength, range, and nature of the intermolecular interaction and their thermodynamic stability in gas-phase涉及甲烷的二聚体:相互作用强度、范围及性质,以及其在气相中的热力学稳定性
err2025-10-01
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PREAI
errOliveira, Rhuiago Mendes; Carvalho, Cassius Marcellus Costa; Martins, Joao Batista Lopes; Pirani, Fernando; Politi, Jose Roberto dos Santos; Gargano, Ricardo
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Graphene oxide quantum dots as potential sensor for hazardous gases: A DFT investigation氧化石墨烯量子点作为有害气体传感器的潜力:一项DFT研究
err2025-07-01
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PREAI
errEdna da Silva Machado; Nailton Martins Rodrigues; Beatriz Costa Arnold; José Roberto dos Santos Politi; João Batista Lopes Martins
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IRMOFs in hydrogen gas storage: A theoretical evaluation on the efficiency and influence of water
err2025-01-01
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PREAI
errRodrigues, N. M.; Diogenes, T. S.; Mizuno, A. L. A.; Machado, E. S.; Martins, J. B. L.
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Infrared Spectroscopy of Ethanethiol Monomers and Dimers at MP2 Level: Characterizing the Dimer Formation and Hydrogen Bond
err2024-12-05
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errOAAI
errBrito, Airan F. S.; Aquino, Adelia J. A.; Politi, Jose Roberto dos Santos; Martins, Joao B. L.
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In Silico Molecular Modeling of Four New Afatinib Derived Molecules Targeting the Inhibition of the Mutated Form of BCR-ABL T315I
err2024-09-08
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errOAAI
errRocha, Kelvyn M. L.; Nascimento, erica C. M.; de Jesus, Rafael C. C.; Martins, Joao B. L.
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Theoretical Study of CH4 and CO2 Separation by IRMOFs
err2024-09-04
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errOAAI
errMizuno, Ana Luiza Andrade; Machado, Edna da Silva; Martins, Joao B. L.; dos Santos Politi, Jose Roberto; Rodrigues, Nailton Martins
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Structural Design, Anticancer Evaluation, and Molecular Docking of Newly Synthesized Ni(II) Complexes with ONS-Donor Dithiocarbazate Ligands
err2024-06-10
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errOAAI
errGatto, Claudia C.; Cavalcante, Cassia de Q. O.; Lima, Francielle C.; Nascimento, Erica C. M.; Martins, Joao B. L.; Santana, Brunna L. O.; Gualberto, Ana C. M.; Pittella-Silva, Fabio
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Electron binding energies of SO2 at the surface of a water cluster
err2023-12-15
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PREAI
errMartins, Joao B. L.; Cabral, Benedito J. C.
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CO2 and CO Capture on the ZnO Surface: A GCMC and Electronic Structure Study
err2023-11-30
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errOAAI
errGordijo, Julia Silva; Rodrigues, Nailton Martins; Martins, Joao B. L.
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Organometallic gold (III) and platinum (II) complexes with thiosemicarbazone: Structural behavior, anticancer activity, and molecular docking有机金属金和铂 (II) 与缩氨基硫脲的配合物: 结构行为,抗癌活性和分子对接
err2022-06-21
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PREAI
errAlmeida, Carolane M.; Marcon, Pedro H. S.; Nascimento, Erica C. M.; Martins, Joao B. L.; Chagas, Marcio A. S.; Fujimori, Mahmi; De Marchi, Patricia G. F.; Franca, Eduardo L.; Honorio-Franca, Adenilda C.; Gatto, Claudia C.
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A binuclear copper(II) complex based on hydrazone ligand: Characterization, molecular docking, and theoretical and antimicrobial investigation
err2021-09-22
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PREAI
errde O Santiago, Pedro H.; Duarte, Eduardo de A.; Nascimento, Erica C. M.; Martins, Joao B. L.; Castro, Mariana S.; Gatto, Claudia C.
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