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Absolute and relative pKa calculations of mono and diprotic pyridines by quantum methods
Casasnovas Perera, Rodrigo
;
Frau Munar, Juan
;
Ortega Castro, Joaquín
;
Salvà, A.
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Donoso Pardo, Josefa Laurentina
;
Muñoz Izquierdo, Francisco
Avoiding gas-phase calculations in theoretical pKa predictions.
Casasnovas Perera, Rodrigo
;
Fernández Payeras, David
;
Ortega Castro, Joaquín
;
Frau Munar, Juan
;
Donoso Pardo, Josefa Laurentina
;
Muñoz Izquierdo, Francisco
Impact of the ionic forms on the UV-Vis spectra 2-hydroxybenzylamine. A TD-DFT study
Adrover Estelrich, Miguel
;
Frau Munar, Juan
;
Caldés Melis, Catalina
;
Vilanova Canet, Bartolomé
;
Donoso Pardo, Josefa Laurentina
;
Muñoz Izquierdo, Francisco
Towards a detailed description of pyridoxamine tautomeric species
Adrover Estelrich, Miguel
;
Caldés Melis, Catalina
;
Vilanova Canet, Bartolomé
;
Frau Munar, Juan
;
Donoso Pardo, Josefa Laurentina
;
Muñoz Izquierdo, Francisco
Theoretical study on the distribution of atomic charges in the Schiff bases of 3-hydroxypyrine-4-aldehyde and alanine. The effect of the protonation state of the pyridine and imine nitrogen atoms.
Casanovas Perera, Rodrigo
;
Salvà Salvà, A.
;
Frau Munar, Juan
;
Donoso Pardo, Josefa Laurentina
;
Muñoz Izquierdo, Francisco
Theoretical and experimental study of the vertical excitation energies in the ionic and tautomeric forms of 4-aminomethylpyridine
Adrover Estelrich, Miguel
;
Frau Munar, Juan
;
Caldés Melis, Catalina
;
Vilanova Canet, Bartolomé
;
Donoso Pardo, Josefa Laurentina
;
Muñoz Izquierdo, Francisco
Evolution of class C β-lactamases: factors influencing their hydrolysis and recognition mechanisms
Fenollar Ferrer, Cristina
;
Frau Munar, Juan
;
Donoso Pardo, Josefa Laurentina
;
Muñoz Izquierdo, Francisco
Cu2+ complexes of some AGE inhibitors.
Ortega Castro, Joaquín
;
Muñoz Izquierdo, Francisco
;
Donoso Pardo, Josefa Laurentina
;
Frau Munar, Juan
;
Adrover Estelrich, Miguel
Isodesmic reaction for pKa calculations of common organic molecules
Sastre Tenreiro, Sebastian
;
Casasnovas Perera, Rodrigo
;
Muñoz Izquierdo, Francisco
;
Frau Munar, Juan
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
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Frau Munar, Juan (10)
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Donoso Pardo, Josefa Laurentina (9)
Adrover Estelrich, Miguel (4)
Casasnovas Perera, Rodrigo (4)
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54 - Chemistry. Crystallography. Mineralogy (10)
54 - Química (10)
Chemical Kinetics (10)
Pyridoxamine (PM) (7)
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