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Approximate Additivity of Anion-pi Interactions: An Ab Initio Study on anion-pi, anion-pi2 and anion-pi3

Quiñonero Santiago, David; Garau Rosselló, Carolina; Frontera Beccaria, Antonio; Costa Torres, Antonio; Ballester Balaguer, Pablo José; Deyà Serra, Pere Maria
Anion-pi interactions in cyanuric acids. A combined crystallographic and computational study

Frontera Beccaria, Antonio; Saczewski, F.; Gdaniec, M.; Dziemidowicz-Borys, E.; Kurland, A.; Deyà Serra, Pere Maria; Quiñonero Santiago, David; Garau Rosselló, Carolina
Theoretical studies on Schiff base formation of vitamin b6 analogues

Salvá Salvá, A.; Donoso Pardo, Josefa Laurentina; Frau Munar, Juan; Muñoz Izquierdo, Francisco
Affinity of ferrocene and (1,1')(3,3')[3,3]ferrocenophane to cations

Frontera Beccaria, Antonio; Quiñonero Santiago,; Garau Rosselló, Carolina; Deyà Serra, Pere Maria; Pichierri, Fabio
Reactivity of a Phospholipid Monolayer Model under Periodic Boundary Conditions. A DFT Study of the Schiff base formation between Phosphatidylethanomanine and Acetaldehyde

Solís Calero, C.; Ortega Castro, Joaquín; 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 study of thiolysis in penicillins and cephalosporins

Muñoz Izquierdo, Francisco; Donoso Pardo, Josefa Laurentina; Coll, Miguel; Vilanova Canet, Bartolomé; Garcías Llabrés, Rafael
In-syringe magnetic stirring-assisted dispersive liquid-liquid microextraction and silylation prior gas chromatography-mass spectrometry for ultraviolet filters determination in environmental water samples

Clavijo Roa, Sabrina del Sol; Avivar, Jessica; Suárez Sánchez, Ruth; Cerdà Martín, Víctor
Thiol-catalysed hydrolysis of benzylpenicillin

Llinás, Antonio; Donoso Pardo, Josefa Laurentina; Vilanova Canet, Bartolomé; Frau Munar, Juan; Muñoz Izquierdo, Francisco; Page, Michael I.
C−H Activation in Pyridoxal-5′-phosphate Schiff Bases: The Role of the Imine Nitrogen. A Combined Experimental and Computational Study

Casasnovas Parera, Rodrigo; Adrover Estelrich, Miguel; Ortega Castro, Joaquín; Frau Munar, Juan; Donoso Pardo, Josefa Laurentina; Muñoz Izquierdo, Fancisco

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