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A theoretical study of anion-pi interactions in seven-membered rings

Quiñonero Santiago, David; Frontera Beccaria, Antonio; Escudero, Daniel; Ballester Balaguer, Pablo José; Costa Torres, Antonio; Deyà Serra, Pere Maria
Dual binding mode of s-triazine to anions and cations

Garau Rosselló, Carolina; Quiñonero Santiago, David; Frontera Beccaria, Antonio; Ballester Balaguer, Pablo José; Costa Torres, Antonio; Deyà Serra, Pere Maria
The different nature of the interactions between anions and HAT(CN)6: from reversible anion-pi complexes to irreversible electron transfer processes (HAT(CN)6 = 1,4,5,8,9,12-hexaazatriphenylene)

Aragay, Gemma; Frontera Beccaria, Antonio; Lloveras, Vega; Vidal-Gancedo, José; Ballester Balaguer, Pablo José
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
Influence of accompanying anions on supramolecular assembly and coordination geometry in HgII complexes with 8-aminoquinoline: experimental and theoretical studies

Mirzaei, M.; Eshtiagh-Hosseini, H.; Mohammadi Abadeh, M.; Chahkandi, M.; Frontera Beccaria, Antonio; Hassanpoor, Azam
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
Halogen bonding versus chalcogen and pnicogen bonding: a combined Cambridge structural database and theoretical study

Bauzá Riera, Antonio; Quiñonero Santiago, David; Deyá Serra, Pere Maria; Frontera Beccaria, Antonio
Formation mechanism of glyoxal-DNA adduct, a DNA cross-link precursor

Vilanova Canet, Bartolomé; Fernández Payeras, David; Casasnovas Perera, Rodrigo; Pomar, A.M.; Alvarez-Idaboy, J.R.; Hernández-Haro, Noemí; Grand, A.; Adrover Estelrich, Miguel; Donoso Pardo, Josefa Laurentina; Frau Munar, Juan; Muñoz Izquierdo, Francisco; Ortega Castro, Joaquín
Syntheses, crystal structures and density functional theoretical investigations of copper(II) complexes bearing tridentate Schiff base ligands derived from 8-aminoquinoline

Bhaumik, P. K.; Bauza Riera, Antonio; Frontera Beccaria, Antonio; Chattopadhyay, Shouvik

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