Home
→
Search

Search

Filters

Use filters to refine the search results.

Current Filters:





New Filters:

Showing 10 out of a total of 10 results. (0.008 seconds)

Now showing items 1-10 of 10

Absolute and relative pKa calculations of mono and diprotic pyridines by quantum methods

Casasnovas Perera, Rodrigo; Frau Munar, Juan; Ortega Castro, Joaquín; Salvà, A.; 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

Now showing items 1-10 of 10

Browse

All of Repository

My Account

Discover

Author
- Frau Munar, Juan (10)
- Muñoz Izquierdo, Francisco (10)
- Donoso Pardo, Josefa Laurentina (9)
- Adrover Estelrich, Miguel (4)
- Casasnovas Perera, Rodrigo (4)
- ... View More
Subject
- 54 - Chemistry. Crystallography. Mineralogy (10)
- 54 - Química (10)
- Chemical Kinetics (10)
- Pyridoxamine (PM) (7)
- Cálculos teóricos (4)
- ... View More

Search

Search

Filters

Showing 10 out of a total of 10 results. (0.008 seconds)

Browse

All of Repository

My Account

Discover

Author

Subject