Thermodynamic stability of hydrogen-bonded systems in polar and nonpolar environments. - Hasan Pasalic; Adélia J. A. Aquino; Daniel Tunega; Georg Haberhauer; Martin H. Gerzabek; Herbert C. Georg; Tatiane F. Moraes; Kaline Coutinho; Sylvio Canuto; Hans Lischka (J. Comput. Chem., 2010)

DICE: A Monte Carlo Code for Molecular Simulation Including the Configurational Bias Monte Carlo Method. - Henrique M. Cezar; Sylvio Canuto; Kaline Coutinho (J. Chem. Inf. Model., 2020)

SuAVE: A Tool for Analyzing Curvature-Dependent Properties in Chemical Interfaces. - Denys E. S. Santos; Frederico J. S. Pontes; Roberto D. Lins; Kaline Coutinho; Thereza A. Soares (J. Chem. Inf. Model., 2020)

Surface Assessment via Grid Evaluation (SuAVE) for Every Surface Curvature and Cavity Shape. - Denys E. S. Santos; Kaline Coutinho; Thereza A. Soares (J. Chem. Inf. Model., 2022)

The Effect of Surface Composition on the Selective Capture of Atmospheric CO2 by ZIF Nanoparticles: The Case of ZIF-8. - Alexsander C. Vendite; Thereza A. Soares; Kaline Coutinho (J. Chem. Inf. Model., 2022)