Prediction of acidity in acetonitrile solution with COSMO-RS. - Frank Eckert; Ivo Leito; Ivari Kaljurand; Agnes Kütt; Andreas Klamt; Michael Diedenhofen (J. Comput. Chem., 2009)

pKa prediction in non-aqueous solvents. - Jonathan W. Zheng; Emad Al Ibrahim; Ivari Kaljurand; Ivo Leito; William H. Green Jr. (J. Comput. Chem., 2025)