Water solvent effects using continuum and discrete models: The nitromethane molecule, CH3NO2. - Lucas Modesto-Costa; Elmar Uhl; Itamar Borges Jr. (J. Comput. Chem., 2015)

Ab initio electronic absorption spectra of para-nitroaniline in different solvents: Intramolecular charge transfer effects. - Matheus Máximo-Canadas; Lucas Modesto-Costa; Itamar Borges Jr. (J. Comput. Chem., 2024)

The Use of Glycan Ensemble Structures and Nonpolar Surface Area Distributions for Correlating with Liquid Chromatography Retention Times. - Lucas Modesto-Costa; Reed Nieman; Adélia J. A. Aquino; Yehia Mechref; Hans Lischka (J. Chem. Inf. Model., 2025)