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Quantification of molecular orbitals based on projection operators: applications to basicity prediction of organic compounds
Vol 21, 2021 -141298 -
Intermolecular Covalent Interactions: A Unified Framework for Pnictogen-, Chalcogen-, Halogen-, and Hydrogen Bonds
Vol 21, 2021 -140660 -
Computational design of synthetic receptors for drug detection: interaction between molecularly imprinted polymers and MDMA (3,4-methylenedioxymethamphetamine)
Vol 21, 2021 -139805 -
Complex eIF4E- eIF4G Inhibitors for the Treatment of Autistic Spectrum Disorder: A theoretical study
Vol 21, 2021 -141557 -
Exploring EPR Parameters of 187Re Complexes for Designing New MRI Probes
Vol 21, 2021 -141374
Publicações em outros proceedings
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SBQT 2023
In Silico studies of nitro derivatives of quinoline and quinoline N-oxide as low-cost alternative for the SARS-CoV-2 treatment
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SBQT 2023
Investigations on potential drug candidates targeting cholinesterase enzymes for AD treatment
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SBQT 2023
Insights into the value of statistical models, solvent and relativistic effects for investigating Re complexes: a potential spectroscopic probe
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SBQT 2023
Alto Potencial da Superfície δ-FeOOH (001) Pura e Dopada com Nb na Adsorção e Degradação de um Agente Neurotóxico
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SBQT 2023
Intermolecular Interactions According to Molecular Orbital Theory
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