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The Journal of Physical Chemistry. A|August 27, 2014
A multireference configuration interaction study of the photodynamics of nitroethyleneItamar Borges, Adélia J A Aquino, Hans LischkaJournal of Computational Chemistry|August 30, 2024
Ab initio electronic absorption spectra of para-nitroaniline in different solvents: Intramolecular charge transfer effectsMatheus Máximo-Canadas, Lucas Modesto-Costa, Itamar BorgesJournal of Computational Chemistry|November 2, 2025
Aromaticity of Substituted Benzene Derivatives Employing a New Set of Aromaticity Descriptors Based on the Partition of Electron DensityMatheus Máximo-Canadas, Nathália M P Rosa, Itamar BorgesThe Journal of Organic Chemistry|July 11, 2023
Machine Learning Determination of New Hammett's Constants for <i>meta</i>- and <i>para</i>-Substituted Benzoic Acid Derivatives Employing Quantum Chemical Atomic Charge MethodsGabriel Monteiro-de-Castro, Julio Cesar Duarte, Itamar BorgesJournal of Mass Spectrometry : JMS|August 18, 2021
Simulation of the electron ionization mass spectra of the Novichok nerve agentFrancisco C S Chernicharo, Lucas Modesto-Costa, Itamar BorgesACS Omega|October 20, 2025
Theoretical Investigation of Charge Modulation Effects in Two Pyridine-Based Fluorescence Probes for Nerve Agent and Acetylcholinesterase (AChE) DetectionMatheus Máximo-Canadas, Bruno Gabriel Motta Rodrigues, Itamar BorgesJournal of Mass Spectrometry : JMS|March 27, 2020
Molecular dynamics simulation of the electron ionization mass spectrum of tabunFrancisco C S Chernicharo, Lucas Modesto-Costa, Itamar BorgesPhysical Chemistry Chemical Physics : PCCP|February 17, 2023
Which molecular properties determine the impact sensitivity of an explosive? A machine learning quantitative investigation of nitroaromatic explosivesJulio Cesar Duarte, Romulo Dias da Rocha, Itamar BorgesJournal of Molecular Modeling|February 5, 2021
Quantifying bond strengths via a Coulombic force model: application to the impact sensitivity of nitrobenzene, nitrogen-rich nitroazole, and non-aromatic nitramine moleculesMarco Aurélio Souza Oliveira, Roberta Siqueira Soldaini Oliveira, Itamar BorgesPhysical Chemistry Chemical Physics : PCCP|November 23, 2021
Nonradiative relaxation mechanisms of the elusive silole moleculeDaniel de Castro Araujo Valente, Itamar Borges, Thiago Messias CardozoPageof 4