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4 results in Authors: Julio Duarte

Chemical Engineering and Industrial Chemistry

A systematic and general machine learning approach to build a consistent data set from different experiments

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

Version 1 posted 10 July 2024

101

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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

417

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1

Citations

Theoretical and Computational Chemistry

Machine learning prediction of electronic molecular excited state properties

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

Version 1 posted 18 October 2024

78

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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

541

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