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Journal of Computational Chemistry|October 11, 2015
Water solvent effects using continuum and discrete models: The nitromethane molecule, CH3NO2Lucas Modesto-Costa, Elmar Uhl, Itamar BorgesSpectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy|May 8, 2018
Discrete and continuum modeling of solvent effects in a twisted intramolecular charge transfer system: The 4-N,N-dimethylaminobenzonitrile (DMABN) moleculeLucas Modesto-Costa, Itamar BorgesJournal 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 Mass Spectrometry : JMS|March 27, 2020
Molecular dynamics simulation of the electron ionization mass spectrum of tabunFrancisco C S Chernicharo, Lucas Modesto-Costa, 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 BorgesThe Journal of Chemical Physics|November 17, 2018
Electronic structure theory gives insights into the higher efficiency of the PTB electron-donor polymers for organic photovoltaics in comparison with prototypical P3HTLucas Modesto-Costa, Itamar Borges, Adélia J A Aquino, et al.Journal of Mass Spectrometry : JMS|June 24, 2018
Elucidating the mass spectrum of the retronecine alkaloid using DFT calculationsLucas Modesto-Costa, Sabrina T Martinez, Angelo C Pinto, et al.Journal of Molecular Modeling|February 19, 2014
Electronic and ionization spectra of 1,1-diamino-2,2-dinitroethylene, FOX-7Itamar BorgesJournal of Molecular Modeling|May 6, 2018
Microwave effects on NiMoS and CoMoS single-sheet catalystsI Borges, Alexander M Silva, Lucas Modesto-CostaThe Journal of Physical Chemistry. A|July 13, 2011
Topological analysis of the molecular charge density and impact sensitivy models of energetic moleculesGilberto Anders, Itamar BorgesPageof 5