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Showing 10 out of a total of 48 results. (0.006 seconds)

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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.
Ab initio Investigations of Lithium Diffusion in Single-Walled Carbon Nanotubes

Garau, C.; Frontera, A.; Quiñonero, D.; Ballester, P.; Costa, A.; Deya, 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.
Experimental and theoretical study of thymine and cytosine derivatives: the crucial role of weak noncovalent interactions

Barceló-Oliver, M.; Baquero, B.; Bauzà, A.; García-Raso, A.; Terrón, A.; Mata, I.; Molins, E.; Frontera, A.
Cis-trans isomerism in diphenoxido bridged dicopper complexes: role of crystallized water to stabilize the cis isomer, variation in magnetic properties and conversion of both into a trinuclear species

Biswas, A.; Drew, M.G.B.; Diaz, C.; Bauza, A.; Frontera, A.; Ghosh, A.
Anion-pi Interactions Involving [MXn]m- Anions: A Comprehensive Theoretical Study

Estarellas, C.; Quiñonero, D.; Deya, P.M.; Frontera, A.

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- Ab initio calculations (6)
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