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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.
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Morey, J.
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Frontera, A.
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Deyà, P.M.
Origin of the regioselective lithiation of 1,3-heteroatom disubstituted aromatics. MNDO evidence for bidentate complexation
Saá, J.M.
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Deyà, P.M.
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Suñer, G.
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Frontera, A.
Doubly Group-Transfer Reactions: a Theoretical (AM1) Approach
Deyà, P.M.
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Suñer, G.A.
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Frontera, A.
New chlorido(dimethyl sulfoxide)iridium (III) complexes with N(6)-adenine substituted adenines- kinetic N(7) versus thermodynamic N(9) coordinated adenine isomers
García-Raso, A.
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Fiol, J. J.
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Albertí, F.M.
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Lagos, Y.
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Torres, M.
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Barceló-Oliver, M.
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Prieto, M.J.
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Moreno, V.
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Mata, I.
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Molins, E
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Estarellas, C.
;
Frontera, A.
;
Quiñonero, D.
;
Deyà, P.M.
New Chlorido(dimethyl sulfoxide)iridium(III) Complexes with N6‐Substituted Adenines - Kinetic N(7) versus Thermodynamic N(9) Coordinated Adenine Isomers
García-Raso, A.
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Fiol, J.J.
;
Albertí, F.M.
;
Lagos, Y.
;
Torres, M.
;
Barceló-Oliver, M.
;
Prieto, M.J.
;
Moreno, V.
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Mata, I.
;
Molins, E.
;
Estarellas, C.
;
Frontera, A.
;
Quiñonero, D.
;
Deyà, P.M.
New Chlorido(dimethyl sulfoxide)iridium(III) complexes with N(6)-substituted adenines - Kinetic versus thermodynamic N(9) coordinated adenine isomers
García-Raso, A.
;
Fiol, J.J.
;
Albertí, F.M.
;
Lagos, Y.
;
Torres, M.
;
Barceló-Oliver, M.
;
Prieto, M.J.
;
Moreno, V.
;
Mata, I.
;
Molins, E.
;
Estarellas, C.
;
Frontera, A.
;
Quiñonero, D.
;
Deyà, P.M.
Anion-pi, Lone-Pair-pi, pi-pi and Hydrogen-Bonding Interactions in a CuII Complex of 2-Picolinate and Protonated 4,4'-Bipyridine: Crystal Structure and Theoretical Studies
Biswas, C.
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Drew, M. G. B.
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Escudero, D.
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Frontera, A.
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Ghosh, A.
Relevant anion-pi interactions in biological systems: the case of Urate Oxidase
Estarellas, C.
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Frontera, A.
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Quiñonero, D.
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Deyà, P.M.
Very long range effects: cooperativity between anion-pi and hydrogen bonding interactions
Lucas, X.
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Estarellas, C.
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Escudero, D.
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Frontera, A.
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Quiñonero, D.
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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.
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Quiñonero, D.
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Frontera, A.
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Deyà, P.M.
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Frontera, A. (50)
Quiñonero, D. (25)
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