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6 results in Authors: Julio Duarte

Theoretical and Computational Chemistry

Machine learning prediction of the most intense peak of the absorption spectra of organic molecules

Rubens Souza, Julio Duarte, Ronaldo Goldschmidt, Itamar Borges Jr

Version 2 posted 03 December 2024

393

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Chemical Engineering and Industrial Chemistry

A systematic and general machine learning approach to build a consistent data set from different experiments: application to the thermal conductivity of methane

Matheus Máximo-Canadas, Julio Cesar Duarte, Jakler Nichele, Leonardo Alves, Luiz Octavio Pereira, Rogerio Ramos, Itamar Borges

Version 3 posted 24 February 2025

262

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Organic Chemistry

Machine learning determination of new Hammett's constants for meta- and para-substituted benzoic acid derivatives employing quantum chemical atomic charge methods

Gabriel Monteiro-de-Castro, Julio Cesar Duarte, Itamar Borges Jr.

Version 1 posted 23 February 2023

547

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1

Citations

Theoretical and Computational Chemistry

Which molecular properties determine the impact sensitivity of an explosive? A machine learning quantitative investigation of nitroaromatic explosives

Itamar Borges Jr, Júlio César Duarte, Romulo Dias da Rocha

Version 1 posted 15 November 2022

678

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Chemical Engineering and Industrial Chemistry

A consistent set of thermophysical properties of methane curated with machine learning

Matheus Maximo-Canadas, Rubens Caio Souza, Julio Cesar Duarte, Jakler Nichele, Leonardo Santos de Brito Alves, Luis Octavio Vieira Pereira, Ligia Gaigher Franco, Itamar Borges Jr

Version 1 posted 15 November 2024

93

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Theoretical and Computational Chemistry

Predicting Fluorescence Emission Wavelengths and Quantum Yields via Machine Learning

Rubens C. Souza, Julio Cesar Duarte, Ronaldo R. Goldschmidt, Itamar Borges Jr

Version 2 posted 20 February 2025

302

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