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Showing 10 out of a total of 31 results. (0.007 seconds)

Now showing items 21-30 of 31

Applicability of the 1H NMR Chemical Shifts Computed by the ab initio/GIAO-HF Methodology to the Study of Geometrical Features of Zn-Porphyrin Dimers.

Gomila Ribas, Rosa María; Garau Rosselló, Carolina; Frontera Beccaria, Antonio; Quiñonero Santiago, David; Ballester Balaguer, Pablo José; Costa Torres, Antonio; Deyà Serra, Pere Maria
Weak CH/pi Interaction Participates in the Diastereoselectivity of a Host-Guest Complex in the Presence of Six Strong Hydrogen Bonds

Frontera Beccaria, Antonio; Garau Rosselló, Carolina; Quiñonero Santiago, David; Ballester Balaguer, Pablo José; Costa Torres, Antonio; Deyà Serra, Pere Maria
A theoretical study of anion-pi interactions in seven-membered rings

Quiñonero Santiago, David; Frontera Beccaria, Antonio; Escudero, Daniel; Ballester Balaguer, Pablo José; Costa Torres, Antonio; Deyà Serra, Pere Maria
DABCO-induced Self-assembly of a tris-Porphyrin Double Decker Cage: Thermodynamic Characterization and Guest Recognition

Ballester Balaguer, Pablo José; Costa Torres, Antonio; Deyà Serra, Pere Maria; Frontera Beccaria, Antonio; Gomila Ribas, Rosa Maria; Oliva, Ana I.; Hunter, Christopher A.
Self-assembly, Binding and Dynamic Properties of Heterodimeric Porphyrin Macrocycles.

Ballester Balaguer, Pablo José; Costa Torres, Antonio; Deyà Serra, Pere Maria; Frontera Beccaria, Antonio; Gomila Ribas, Rosa Maria; Sanders, Jeremy K. M.; Oliva, Ana I.; Hunter, Christopher A.
Structure and Binding Energy of Anion-pi and Cation-pi Complexes: A Comparison of MP2, RI-MP2, DFT, and DF-DFT Methods.

Quiñonero Santiago, David; Garau Rosselló, Carolina; Frontera Beccaria, Antonio; Ballester Balaguer, Pablo José; Costa Torres, Antonio; Deyà Serra, Pere Maria
Ab Initio Study of [n.n]Paracyclophane (n = 2, 3) Complexes with Cations: Unprecedented Through-Space Substituent Effects.

Frontera Beccaria, Antonio; Quinoñero Santiago, David; Garau Rosselló, Carolina; Ballester Balaguer, Pablo José; Costa Torres, Antonio; Deyà Serra, Pere Maria
A theoretical ab initio study of [n.n]paracyclophane complexes with cations

Frontera Beccaria, Antonio; Quiñonero Santiago, David; Garau Rosselló, Carolina; Ballester Balaguer, Pablo José; Costa Torres, Antonio; Deyà Serra, Pere Maria; Pichierri, Fabio
Approximate Additivity of Anion-pi Interactions: An Ab Initio Study on anion-pi, anion-pi2 and anion-pi3

Quiñonero Santiago, David; Garau Rosselló, Carolina; Frontera Beccaria, Antonio; Costa Torres, Antonio; Ballester Balaguer, Pablo José; Deyà Serra, Pere Maria
Anion-pi interactions in four-membered rings

Estarellas Martín, Carolina; Rotger Pons, María Carmen; Capó, Magdalena; Quiñonero Santiago, David; Frontera Beccaria, Antonio; Costa Torres, Antonio; Deyà Serra, Pere Maria

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