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Now showing items 1-3 of 3

Theoretical calculations of stability constants and pKa values of metal complexes in solution: application to pyridoxamine-copper(II) complexes and their biological implications in AGE inhibition

Casasnovas Perera, Rodrigo; Ortega Castro, Joaquín; Donoso Pardo, Josefa Laurentina; Frau Munar, Juan; Muñoz Izquierdo, Francisco
Simplification of the CBS-QB3 Method for Predicting Gas-Phase Deprotonation Free Energies

Casasnovas Perera, Rodrigo; Frau Munar, Juan; Ortega Castro, Joaquín; Salvá Salvá, A.; Donoso Pardo, Josefa Laurentina; Muñoz Izquierdo, Francisco
Theoretical pKa Calculations With Continuum Model Solvents, Alternative Protocols to Thermodynamic Cycles

Casasnovas Parera, Rodrigo; Ortega Castro, Joaquín; Frau Munar, Juan; Donoso Pardo, Josefa Laurentina; Muñoz Izquierdo, Francisco

Now showing items 1-3 of 3