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Journal of Molecular Modeling|April 2, 2024
Absorption spectra of p-nitroaniline derivatives: charge transfer effects and the role of substituentsMatheus Máximo-Canadas, 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 BorgesThe Journal of Physical Chemistry. A|April 5, 2023
Chirality of Alanine Molecules in Water Solvent: A Theoretical PerspectiveDanillo Valverde, Lucas Modesto-Costa, Valdemir Ludwig, et al.Journal 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 BorgesThe 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|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 meta- and para-Substituted Benzoic Acid Derivatives Employing Quantum Chemical Atomic Charge MethodsGabriel Monteiro-de-Castro, Julio Cesar Duarte, Itamar BorgesPageof 5