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)

Measurement Uncertainty Estimation in Amperometric Sensors: A Tutorial Review. - Irja Helm; Lauri Jalukse; Ivo Leito (Sensors, 2010)

Quantum chemical calculations on a unified pH scale for all phases. - Sascha K. Goll; Daniel Himmel; Ivo Leito; Ingo Krossing (J. Cheminformatics, 2011)

Applying the unified pH scale: absolute acidities in the gas phase and anchor points for eleven representative liquid media. - Sascha K. Goll; Daniel Himmel; Ivo Leito; Ingo Krossing (J. Cheminformatics, 2012)

Prediction of partition and distribution coefficients in various solvent pairs with COSMO-RS. - Sofja Tshepelevitsh; Kertu Hernits; Ivo Leito (J. Comput. Aided Mol. Des., 2018)

Symmetric Potentiometric Cells for the Measurement of Unified pH Values. - Agnes Heering; Daniela Stoica; Filomena Camões; Bárbara Anes; Dániel Nagy; Zsófia Nagyné Szilágyi; Raquel Quendera; Luís Ribeiro; Frank Bastkowski; Rasmus Born; Jaak Nerut; Jaan Saame; et al. (Symmetry, 2020)

Unified pH Measurements of Ethanol, Methanol, and Acetonitrile, and Their Mixtures with Water. - Lisa Deleebeeck; Alan Snedden; Dániel Nagy; Zsófia Szilágyi Nagyné; Matilda Roziková; Martina Vicarová; Agnes Heering; Frank Bastkowski; Ivo Leito; Raquel Quendera; Vítor Cabral; Daniela Stoica (Sensors, 2021)

Widespread Misinterpretation of pKa Terminology for Zwitterionic Compounds and Its Consequences. - Jonathan W. Zheng; Ivo Leito; William H. Green Jr. (J. Chem. Inf. Model., 2024)

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