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Showing 10 out of a total of 67 results. (0.01 seconds)

Now showing items 21-30 of 67

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Counterintuitive affinity of [2.2]paracyclophane to cations

Quiñonero Santiago, David; Frontera Beccaria, Antonio; Garau Rosselló, Carolina; Ballester Balaguer, Pablo José; Costa Torres, Antonio; Deyà Serra, Pere Maria; Pichierri, Fabio
Theoretical and Crystallographic Study of edge-to-face aromatic interactions between pyridine moieties and benzene

Escudero, Daniel; Estarellas Martín, Carolina; Frontera Beccaria, Antonio; Quiñonero Santiago, David; Deyà Serra, Pere Maria
Preparation, Solid-State Characterization, and Computational Study of a Crown Ether Attached to a Squaramide.

Frontera Beccaria, Antonio; Orell, Maria; Garau Rosselló, Carolina; Quiñonero Santiago, David; Molins, Elies; Mata, Ignasi; Morey Salvà, Jeroni
Thermodynamic Characterization of Halide-pi Interactions in Solution using "Two-wall" Aryl extended Calix[4]pyrroles as Model System

Adriaenssens, Louis; Gil-Ramírez, Guzmán; Frontera Beccaria, Antonio; Quiñonero Santiago, David; Escudero-Adán, Eduardo C.; Ballester Balaguer, Pablo José
Feasibility of Single-Walled Carbon Nanotubes as Materials for CO2 Adsorption: A DFT Study

Quiñonero Santiago, David; Frontera Beccaria, Antonio; Deyà Serra, Pere Maria
Erroneous behaviour of the widely used MP2(full)/aug-cc-pVXZ (X = D, T) level of theory for evaluating the BSSE in ion-pi complexes

Estarellas Martín, Carolina; Lucas, Xavier; Frontera Beccaria, Antonio; Quiñonero Santiago, David; Deyà Serra, Pere Maria
The Resonance Model in Amides: A Combined Crystallographic and ab initio Investigation

Quiñonero Santiago, David; Frontera Beccaria, Antonio; Capó Cañellas, Magdalena; Ballester Balaguer, Pablo José; Suñer, Guillem A.; Garau Rosselló, Carolina; Deyà Serra, Pere M.
Lithium Diffusion in Single-Walled Carbon Nanotubes: A Theoretical Study

Garau Rosselló, Carolina; Frontera Beccaria, Antonio; Quiñonero Santiago, David; Costa Torres, Antonio; Ballester Balaguer, Pablo José; Deya Serra, Pere Maria
Unexpected nonadditivity effects in anion-pi complexes

Estarellas Martín, Carolina; Frontera Beccaria, Antonio; Quiñonero Santiago, David; Deyà Serra, Pere Maria
Anion-pi interactions in bisadenine derivatives: a combined crystallographic and theoretical study.

García-Raso, Ángel; Albertí Aguiló, Francisca M.; Fiol Arbós, Juan Jesús; Tasada Lozano, Andrés; Barceló Oliver, Miquel; Molins, Elies; Escudero, Daniel; Frontera Beccaria, Antonio; Quiñonero Santiago, David; Deyà Serra, Pere Maria