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A theoretical ab initio study of [n.n]paracyclophane complexes with cations

Frontera Beccaria, Antonio; Quiñonero Santiago, David; Garau Rosselló, Carolina; Ballester Balaguer, Pablo José; Costa Torres, Antonio; Deyà Serra, Pere Maria; Pichierri, Fabio
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
DFT study of the mechanism of the reaction of aminoguanidine with methylglyoxal

Solís Calero, Christian; Ortega Castro, Joaquín; Hernández Laguna, Alfonso; Muñoz Izquierdo, Francisco
The hydrophobic substituent in aminophospholipids affects the formation kinetics of their Schiff bases

Caldés, Catalina; Vilanova Canet, Bartolomé; Adrover Estelrich, Miguel; Donoso Pardo, Josefa Laurentina; Muñoz Izquierdo, Francisco
Kinetic and Molecular -Modelling study of the interaction between Staphylococcus aureus PC1 enzyme and Imipenem

Vilanova Canet, Bartolomé; Coll Parets, Miquel; Frau Munar, Juan; Muñoz Izquierdo, Francisco; Donoso Pardo, Josefa Laurentina
Thiol-catalysed hydrolysis of benzylpenicillin

Llinás, Antonio; Donoso Pardo, Josefa Laurentina; Vilanova Canet, Bartolomé; Frau Munar, Juan; Muñoz Izquierdo, Francisco; Page, Michael I.
Kinetic analysis and mechanism of the hydrolytic degradation of squaramides and squaramic Acids

Ximenis Campins, Marta; Bustelo, Emilio; Algarra, Andrés G.; Vega Reynés, Manuel; Rotger Pons, María del Carmen; Basallote, Manuel G.; Costa Torres, Antonio
Anion-pi interactions in [S4N3]+ rings

Bauzá Riera, Antonio; Quiñonero Santiago, David; Deyà Serra, Pere Maria; Frontera Beccaria, Antonio
Interplay between cation-pi and hydrogen bonding interactions: Are non-additivity effects additive?

Estarellas Martín, Carolina; Frontera Beccaria, Antonio; Quiñonero Santiago, David; Deyà Serra, Pere Maria
Estimating ring strain energies in small carbocycles by means of the Bader's theory of 'atoms-in-molecules'

Bauzá Riera, Antonio; Quiñonero Santiago, David; Deyà Serra, Pere Maria; Frontera Beccaria, Antonio

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