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A theoretical study of aromaticity in squaramide complexes with anions

Quiñonero, D.; Prohens, R.; Frontera, A.; Ballester, P.; Garau, C.; Costa, A.; Deyà, P.M.
Interplay Between Cation-pi, Anion-pi and pi-pi Interactions

Quiñonero, D.; Frontera, A.; Garau, C.; Ballester, P.; Costa, A.; Deyà, P.M.
Predicting Directed Lithiations by Means of MNDO-Determined Agostic Interaction Parameters and Proximity Features. Peri Lithiation of Polyhydric Phenolic Compounds

Saá, J.M.; Morey, J.; Frontera, A.; Deyà, P.M.
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.
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.
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.
Crystal Structures and DFT calculations of new chlorido-dimethylsulfoxide-M(III) (M= Ir, Ru, Rh) complexes with the N-pyrazolyl pyrimidine donor ligand: kinetic vs. thermodynamic isomers

Cánaves, M.M.; Cabra, M.I.; Bauzá, A.; Cañellas, P.; Sánchez, K.; Orvay, F.; García-Raso, A.; Fiol, J.J.; Terrón, A.; Barceló-Oliver, M.; Ballester, P.; Mata, I.; Molins, E.; Hussain, F.; Frontera, A.

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