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Origin of the regioselective lithiation of 1,3-heteroatom disubstituted aromatics. MNDO evidence for bidentate complexation

Saá, J.M.; Deyà, P.M.; Suñer, G.; Frontera, A.
Doubly Group-Transfer Reactions: a Theoretical (AM1) Approach

Deyà, P.M.; Suñer, G.A.; Frontera, A.
A combined experimental and theoretical study of anion-pi interactions in bis(pyrimidine) salts

García-Raso, A.; Albertí, F.; Fiol, J.; Tasada, A.; Barceló-Oliver, M.; Molins, E.; Escudero, D.; Frontera, A.; Quiñonero, D.; Deyà, P.
Cation-pi versus Anion-pi Interactions: Energetic, Charge Transfer, and Aromatic Aspects

Garau, C.; Frontera, A.; Quiñonero, D.; Ballester, P.; Costa, A.; Deya, P.M.
DABCO‐Directed Self‐Assembly of Bisporphyrins (DABCO=1,4‐Diazabicyclo[2.2.2]octane)

Ballester, P.; Costa, A.; Castilla A.M.; Deyà, P.M.; Gomila R.M.; Frontera, A.; Hunter, C.A.
Crystallographic and Theoretical Evidence of Anion-π and Hydrogen‐Bonding Interactions in a Squaramide-Nitrate Salt

Rotger. C.; Soberats, B.; Quiñonero, D.; Frontera, A.; Balllester, P.; Benet-Buchholz, J.; Deyà, P.M.; Costa, A.
MP2 Study of Synergistic Effects Between X-H/pi (X=C,N,O) and pi-pi Interactions

Quiñonero, D.; Frontera, A.; Escudero, D.; Ballester, P.; Costa, A.; Deyà, P.M.
Ab initio Investigations of Lithium Diffusion in Single-Walled Carbon Nanotubes

Garau, C.; Frontera, A.; Quiñonero, D.; Ballester, P.; Costa, A.; Deya, P.M.
A Theoretical Ab Initio Study of the Capability of Several Binding Units for the Molecular Recognition of Anions

Frontera, A.; Garau, C.; Quiñonero, D.; Ballester, P.; Costa, A.; Deyà, P.M.
On the importance of the inclusion of the basis set superposition error counterpoise correction during optimization of ion-pi complexes

Escudero, D.; Quiñonero, D.; Frontera, A.; Deyà, P.M.

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