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Journal of Molecular Modeling|February 19, 2014
Electronic and ionization spectra of 1,1-diamino-2,2-dinitroethylene, FOX-7Itamar BorgesThe Journal of Physical Chemistry. A|July 13, 2011
Topological analysis of the molecular charge density and impact sensitivy models of energetic moleculesGilberto Anders, Itamar BorgesJournal of Molecular Modeling|April 2, 2024
Absorption spectra of p-nitroaniline derivatives: charge transfer effects and the role of substituentsMatheus Máximo-Canadas, 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|April 20, 2011
How to find an optimum cluster size through topological site properties: MoSx model clustersAlexander M Silva, Itamar BorgesJournal of Computational Chemistry|July 27, 2023
A Hammett's analysis of the substituent effect in functionalized diketopyrrolopyrrole (DPP) systems: Optoelectronic properties and intramolecular charge transfer effectsGabriel Monteiro-de-Castro, Itamar BorgesJournal of Computational Chemistry|August 30, 2024
Photophysical properties of donor (D)-acceptor (A)-donor (D) diketopyrrolopyrrole (A) systems as donors for applications to organic electronic devicesNathália M P Rosa, Itamar BorgesJournal of Molecular Modeling|February 13, 2025
Review on the DFT computation of bulk heterojunction and dye-sensitized organic solar cell propertiesNathália M P Rosa, Itamar BorgesJournal of Molecular Modeling|September 16, 2019
Correlation between molecular charge densities and sensitivity of nitrogen-rich heterocyclic nitroazole derivative explosivesRoberta Siqueira Soldaini de Oliveira, Itamar BorgesJournal of Computational Chemistry|October 11, 2015
Water solvent effects using continuum and discrete models: The nitromethane molecule, CH3NO2Lucas Modesto-Costa, Elmar Uhl, Itamar BorgesPageof 4