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Showing 10 out of a total of 50 results for community: Articles. (0.024 seconds)

Now showing items 41-50 of 50

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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
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
Substituent Effects in Cation/pi Interactions Revisited: A General Approach from Intrinsic Properties of the Arenes

Bauza Riera, Antonio; Deyà Serra, Pere Maria; Frontera Beccaria, Antonio; Quiñonero Santiago, David
Squaramido-Based Receptors : Applicability of Molecular Interaction Potential to Molecular Recognition of Polyalkylammonium Compounds

Quiñonero Santiago, David; Frontera Beccaria, Antonio; Tomàs, Salvador; Suñer, Guillem A.; Morey Salvà, Jeroni; Costa Torres, Antonio; Ballester Balaguer, Pablo José; Deyà Serra, Pere Maria
Anion-pi interactions in bisadenine derivatives: a combined crystallographic and theoretical study.

García-Raso, Ángel; Albertí Aguiló, Francisca M.; Fiol Arbós, Juan Jesús; Tasada Lozano, Andrés; Barceló Oliver, Miquel; Molins, Elies; Escudero, Daniel; Frontera Beccaria, Antonio; Quiñonero Santiago, David; Deyà Serra, Pere Maria
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
Can lone pair-pi and cation-pi interactions coexist? A theoretical study

Estarellas, Carolina; Frontera Beccaria, Antonio; Quiñonero, David; Deyà Serra, Pere Maria (De Gruyter Open/ Versita, 2011)
Self-assembly of [2]Rotaxane exploiting Reversible Pt(II)-Pyridine Coordinate Bonds

Ballester Balaguer, Pablo José; Capó, Magdalena; Costa Torres, Antonio; Deyà Serra, Pere Maria; Frontera Beccaria, Antonio; Gomila Ribas, Rosa Maria (MDPI, )
Molecular interaction potential with polarization (MIPp) study of the interplay between anion-pi and hydrogen bonding interactions.

Quiñonero, David; Escudero, Daniel; Frontera Beccaria, Antonio; Deyà Serra, Pere Maria (Bentham Science Publishers Ltd., )