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Showing 10 out of a total of 55 results. (0.012 seconds)

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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
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
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
A novel fluoride selective optical chemosensor based on internal charge transfer signaling

Mashraqui, S.H.; Betkar, Rupesh; Chandiramani, M.; Quiñonero Santiago, David; Frontera Beccaria, Antonio
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
Self-assembly hexanuclear metallacontainer hosting halogenated guest species and sustaining structure of 3D coordination framework

Govor, Evgen V.; Lysenko, Andrey B.; Quiñonero Santiago, David; Rusanov, Edward B.; Chernega, Alexander N.; Moellmer, Jens; Staudt, Reiner; Krautscheid, Harald; Frontera Beccaria, Antonio; Domasevitch, Konstantin V.
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

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