Which molecular properties determine the impact sensitivity of an explosive? A machine learning quantitative investigation of nitroaromatic explosives-Reference-Cited by-同舟云学术

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

Published:2023 Issue:9 Volume:25 Page:6877-6890
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Duarte Julio Cesar¹²^ORCID,da Rocha Romulo Dias²,Borges Itamar¹³^ORCID

Affiliation:

1. Departamento de Engenharia de Computação, Instituto Militar de Engenharia, Instituto Militar de Engenharia, Praça General Tibúrcio, 80, Urca, Rio de Janeiro (RJ), 22290-270, Brazil

2. Programa de Pós-Graduação em Engenharia de Defesa, Militar de Engenharia, Instituto Militar de Engenharia, Praça General Tibúrcio, 80, Urca, Rio de Janeiro (RJ), 22290-270, Brazil

3. Departamento de Química, Militar de Engenharia, Instituto Militar de Engenharia, Praça General Tibúrcio, 80, Urca, Rio de Janeiro (RJ), 22290-270, Brazil

Abstract

Machine learning was used to rationalize the molecular origin of the impact sensitivity of nitroaromatic explosives.

Funder

Fundação Carlos Chagas Filho de Amparo à Pesquisa do Estado do Rio de Janeiro

Conselho Nacional de Desenvolvimento Científico e Tecnológico

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://pubs.rsc.org/en/content/articlepdf/2023/CP/D2CP05339J

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