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Distributed multipole analysis (DMA)

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2 results in Keywords: Distributed multipole analysis (DMA)

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Category: Organic Chemistry

A NEW AROMATICITY DESCRIPTOR BASED ON ELECTRON DELOCALIZATION EMPLOYING THE DISTRIBUTED MULTIPOLE ANALYSIS (DMA)

, Authors: Roberta Siqueira Soldaini Oliveira, Marco Aurélio Souza Oliveira, Itamar Borges Jr

Version 1 posted 20 December 2024

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Category: Theoretical and Computational Chemistry

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

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

Version 1 posted 15 November 2022

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ISSN 2573-2293 (Online) ChemRxiv Archive

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