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Showing 10 out of a total of 50 results. (0.006 seconds)

Now showing items 21-30 of 50

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.
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.
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.
Complexes of Zn(II) with N-Imidazolyl and -pyrazolyl pyrimidine Donor Ligands: Synthesis, Crystal Structure and Theoretical Study

Cañellas, P.; Torres, M.; Bauzá, A.; Cánaves, M.; Sánchez, K.; Cabra, M.I.; García-Raso, A.; Fiol, J.J.; Deyà, P.M.; Molins, E.; Mata, I.; Frontera, A.

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