Itamar Borges (I Borges)

ResearcherID Scopus Author ID ORCID

Publication Activity (10 Years)

Years Active: 2018-2023
Publications (10 Years): 16

Top Venues

Physical chemistry chemical physics : PCCP

Journal of molecular modeling

Journal of mass spectrometry : JMS

Journal of computational chemistry

Federal University of Rio de Janeiro (PHD)

This page only lists publications with an associated author ORCID identifier.

Education History

Federal University of Rio de Janeiro Mar 01 1994 - Jun 06 1998

Brazil

PHD :: Physics and Physical-Chemistry

Publications

Roberta Siqueira Soldaini Oliveira, Marco Aurélio Souza Oliveira, Itamar Borges
The effect of the electronic structure method and basis set on the accuracy of the electric multipoles computed with the distributed multipole analysis (DMA). Journal of molecular modeling 29 (11) (2023)
Julio Cesar Duarte, Romulo Dias da Rocha, Itamar Borges
Which molecular properties determine the impact sensitivity of an explosive? A machine learning quantitative investigation of nitroaromatic explosives. Physical chemistry chemical physics : PCCP 25 (9) (2023)
Gabriel Monteiro-de-Castro, Itamar Borges
A Hammett's analysis of the substituent effect in functionalized diketopyrrolopyrrole (DPP) systems: Optoelectronic properties and intramolecular charge transfer effects. Journal of computational chemistry (2023)
Julio Cesar Duarte, Romulo Dias da Rocha, Itamar Borges
Which molecular properties determine the impact sensitivity of an explosive? A machine learning quantitative investigation of nitroaromatic explosives. Physical chemistry chemical physics : PCCP (2023)
Raphael S Alvim, Itamar Borges, Rita Maria Brito Alves, Rodrigo B Capaz, Alexandre Amaral Leitão
CO adsorption on MgO thin-films: formation and interaction of surface charged defects. Physical chemistry chemical physics : PCCP (2023)
Itamar Borges, Roberta M P O Guimarães, Gabriel Monteiro-de-Castro, Nathália M P Rosa, Reed Nieman, Hans Lischka, Adélia J A Aquino
A comprehensive analysis of charge transfer effects on donor-pyrene (bridge)-acceptor systems using different substituents. Journal of computational chemistry (2023)
Gabriel Monteiro-de-Castro, Julio Cesar Duarte, Itamar Borges
Machine Learning Determination of New Hammett's Constants for meta - and para -Substituted Benzoic Acid Derivatives Employing Quantum Chemical Atomic Charge Methods. The Journal of organic chemistry (2023)
Francisco C S Chernicharo, Lucas Modesto-Costa, Itamar Borges
Simulation of the electron ionization mass spectra of the Novichok nerve agent. Journal of mass spectrometry : JMS 56 (9) (2022)
Daniel de Castro Araujo Valente, Itamar Borges, Thiago Messias Cardozo
Nonradiative relaxation mechanisms of the elusive silole molecule. Physical chemistry chemical physics : PCCP 23 (46) (2021)
Marco Aurélio Souza Oliveira, Roberta Siqueira Soldaini Oliveira, Itamar Borges
Quantifying bond strengths via a Coulombic force model: application to the impact sensitivity of nitrobenzene, nitrogen-rich nitroazole, and non-aromatic nitramine molecules. Journal of molecular modeling 27 (3) (2021)
Francisco C S Chernicharo, Lucas Modesto-Costa, Itamar Borges
Molecular dynamics simulation of the electron ionization mass spectrum of tabun. Journal of mass spectrometry : JMS 55 (6) (2020)
Roberta Siqueira Soldaini de Oliveira, Itamar Borges
Correlation between molecular charge densities and sensitivity of nitrogen-rich heterocyclic nitroazole derivative explosives. Journal of molecular modeling 25 (10) (2019)
Lucas Modesto-Costa, Sabrina T Martinez, Angelo C Pinto, Ricardo Vessecchi, Itamar Borges
Elucidating the mass spectrum of the retronecine alkaloid using DFT calculations. Journal of mass spectrometry : JMS 53 (10) (2018)
Itamar Borges, Alexander M Silva, Lucas Modesto-Costa
Microwave effects on NiMoS and CoMoS single-sheet catalysts. Journal of molecular modeling 24 (6) (2018)
Lucas Modesto-Costa, Itamar Borges, Adélia J A Aquino, Hans Lischka
Electronic structure theory gives insights into the higher efficiency of the PTB electron-donor polymers for organic photovoltaics in comparison with prototypical P3HT. The Journal of chemical physics 149 (18) (2018)
Thiago Messias Cardozo, Andre Pessoa Galliez, Itamar Borges, Felix Plasser, Adélia J A Aquino, Mario Barbatti, Hans Lischka
Dynamics of benzene excimer formation from the parallel-displaced dimer. Physical chemistry chemical physics : PCCP 21 (26) (2018)

Itamar Borges.css-eqlu8i{font-size:small;padding-left:4px;} (I Borges)

Publication Activity (10 Years)

Top Topics

Top Venues

Itamar Borges (I Borges)