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Conformational Preferences and Self-Template Macrocyclization of Squaramide-Based Foldable Modules.

Rotger Pons, María del Carmen; Piña Capó, María de las Nieves; Frontera Beccaria, Antonio; Martorell Crespí, Gabriel; Ballester Balaguer, Pablo José; Deyà Serra, Pere Maria; Costa Torres, Antonio
Applicability of the 1H NMR Chemical Shifts Computed by the ab initio/GIAO-HF Methodology to the Study of Geometrical Features of Zn-Porphyrin Dimers.

Gomila Ribas, Rosa María; Garau Rosselló, Carolina; Frontera Beccaria, Antonio; Quiñonero Santiago, David; Ballester Balaguer, Pablo José; Costa Torres, Antonio; Deyà Serra, Pere Maria
RI-MP2 and MPWB1K Study of pi-Anion-pi' Complexes: MPWB1K Performance and Some Additivity Aspects

Garau Rosselló, Carolina; Frontera Beccaria, Antonio; Quiñonero Santiago, David; Russo, Nino; Deyà Serra, Pere Maria
Encapsulation of anions: Macrocyclic receptors based on metal coordination and anion-pi interactions

Frontera Beccaria, Antonio
Interplay between edge-to-face aromatic and hydrogen-bonding interactions

Escudero, Daniel; Frontera Beccaria, Antonio; Quiñonero Santiago, David; Deyà Serra, Pere Maria
2-Aminopyrimidine derivatives exhibiting anion-pi interactions: a combined crystallographic and theoretical study.

García Raso, Ángel; Albertí Aguiló, Francisca Maria; Fiol Arbós, Juan Jesús; Tasada Lozano, Andrés; Barceló Oliver, Miquel; Molins, Elies; Estarellas Martín, Carolina.; Frontera Beccaria, Antonio; Quiñonero Santiago, David; Deyà Serra, Pere Maria
Substituent effects in halogen bonding complexes between aromatic donors and acceptors: a comprehensive ab initio study

Bauzá Riera, Antonio; Quiñonero Santiago, David; Frontera Beccaria, Antonio; Deyà Serra, Pere Maria
Is the use of diffuse functions essential for the properly description of noncovalent interactions involving anions?

Bauzá Riera, Antonio; Quiñonero Santiago, David; Deyà Serra, Pere Maria; Frontera Beccaria, Antonio
Kinetic Study of the reaction of glycolaldehyde with two glycation target models

Adrover Estelrich, Miguel; Vilanova Canet, Bartolomé; Muñoz Izquierdo, Francisco; Donoso Pardo, Josefa Laurentina
Density Functional Theory Studies on Transimination of Vitamin B6 Analogues through Geminal Diamine Formation

Salvà Salvà, Antoni; Donoso Pardo, Josefa Laurentina; Frau Munar, Juan; Muñoz Izquierdo, Francisco

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