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Unexpected Binding Affinity of [2.2]Paracyclophane to Cations

Frontera Beccaria, Antonio; Garau Rosselló, Carolina; Quiñonero Santiago, David; Ballester Balaguer, Pablo José; Costa Torres, Antonio; Deyà Serra, Pere Maria
Thermodynamic Characterization of Halide-pi Interactions in Solution using "Two-wall" Aryl extended Calix[4]pyrroles as Model System

Adriaenssens, Louis; Gil-Ramírez, Guzmán; Frontera Beccaria, Antonio; Quiñonero Santiago, David; Escudero-Adán, Eduardo C.; Ballester Balaguer, Pablo José
Feasibility of Single-Walled Carbon Nanotubes as Materials for CO2 Adsorption: A DFT Study

Quiñonero Santiago, David; Frontera Beccaria, Antonio; Deyà Serra, Pere Maria
Erroneous behaviour of the widely used MP2(full)/aug-cc-pVXZ (X = D, T) level of theory for evaluating the BSSE in ion-pi complexes

Estarellas Martín, Carolina; Lucas, Xavier; Frontera Beccaria, Antonio; Quiñonero Santiago, David; Deyà Serra, Pere Maria
s-Tetrazine as a New Binding Unit in Molecular Recognition of Anions

Garau Rosselló, Carolina; Quiñonero Santiago, David; Frontera Beccaria, Antonio; Costa Torres, Antonio; Ballester Balaguer, Pablo José; Deyà Serra, Pere Maria
A novel fluoride selective optical chemosensor based on internal charge transfer signaling

Mashraqui, S.H.; Betkar, R.; Chandiramani, M.; Quiñonero Santiago, David; Frontera Beccaria, Antonio
The Resonance Model in Amides: A Combined Crystallographic and ab initio Investigation

Quiñonero Santiago, David; Frontera Beccaria, Antonio; Capó Cañellas, Magdalena; Ballester Balaguer, Pablo José; Suñer, Guillem A.; Garau Rosselló, Carolina; Deyà Serra, Pere M.
Lithium Diffusion in Single-Walled Carbon Nanotubes: A Theoretical Study

Garau Rosselló, Carolina; Frontera Beccaria, Antonio; Quiñonero Santiago, David; Costa Torres, Antonio; Ballester Balaguer, Pablo José; Deya Serra, Pere Maria
Interplay between ion-pi and Ar/pi Van der Waals interactions

Quiñonero Santiago, David; Frontera Beccaria, Antonio; Deyà Serra, Pere Maria
Unexpected nonadditivity effects in anion-pi complexes

Estarellas Martín, Carolina; Frontera Beccaria, Antonio; Quiñonero Santiago, David; Deyà Serra, Pere Maria