Publication
Empirically Fitted Parameters for Calculating pKa Values with Small Deviations from Experiments Using a Simple Computational Strategy
Annia Galano, Adriana Pérez-González, Romina Castañeda-Arriaga, Leonardo Muñoz-Rugeles, Gabriela Mendoza-Sarmiento, Antonio Romero-Silva, Agustin Ibarra-Escutia, Aida Mariana Rebollar-Zepeda, Jorge Rafael León-Carmona, Manuel Alejandro Hernández-Olivares, Juan Raúl Alvarez-Idaboy
Journal of Chemical Information and Modeling, September 2016, American Chemical Society (ACS)
DOI: 10.1021/acs.jcim.6b00310