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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.
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Frontera, A.
Doubly Group-Transfer Reactions: a Theoretical (AM1) Approach
Deyà, P.M.
;
Suñer, G.A.
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Frontera, A.
A combined experimental and theoretical study of anion-pi interactions in bis(pyrimidine) salts
García-Raso, A.
;
Albertí, F.
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Fiol, J.
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Tasada, A.
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Barceló-Oliver, M.
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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.
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Frontera, A.
;
Hunter, C.A.
MP2 Study of Synergistic Effects Between X-H/pi (X=C,N,O) and pi-pi Interactions
Quiñonero, D.
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Frontera, A.
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Escudero, D.
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Ballester, P.
;
Costa, A.
;
Deyà, P.M.
Ab initio Investigations of Lithium Diffusion in Single-Walled Carbon Nanotubes
Garau, C.
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Frontera, A.
;
Quiñonero, D.
;
Ballester, P.
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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.
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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.
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Torres, M.
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Bauzá, A.
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Cánaves, M.
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Sánchez, K.
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Cabra, M.I.
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García-Raso, A.
;
Fiol, J.J.
;
Deyà, P.M.
;
Molins, E.
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Mata, I.
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Frontera, A.
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Frontera, A. (50)
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Noncovalent Interactions (6)
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