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Showing 10 out of a total of 48 results. (0.01 seconds)

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Quantification of aromaticity in oxocarbons: the problem of the fictitious nonaromatic reference system

Quiñonero, D.; Frontera, A.; Ballester, P.; Garau, C.; Costa, A.; Deyà, P.M.
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.
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.; 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.
New Chlorido(dimethyl sulfoxide)iridium(III) Complexes with N6‐Substituted Adenines - Kinetic N(7) 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.
Relevant anion-pi interactions in biological systems: the case of Urate Oxidase

Estarellas, C.; Frontera, A.; Quiñonero, D.; Deyà, P.M.
The Role of the Ethynyl Substituent on the pi-pi Stacking Affinity of Benzene: A Theoretical Study

Lucas, X.; Quiñonero, D.; Frontera, A.; Deyà, P.M.

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- Frontera, A. (48)
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- Ab initio calculations (6)
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