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Showing 10 out of a total of 55 results. (0.006 seconds)

Now showing items 31-40 of 55

Pnicogen-pi complexes: theoretical study and biological implications.

Bauzá Riera, Antonio; Quiñonero Santiago, David; Deyà Serra, Pere Maria a; Frontera Beccaria, Antonio
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
Dual Cation and Anion Acceptor Molecules. The case of (η6-C6H6)(η6-C6F6)Cr(0) Complex

Alkorta, Ibon; Quiñonero Santiago, David; Garau Rosselló, Carolina; Frontera Beccaria, Antonio; Elguero, José; 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
Dual binding mode of s-triazine to anions and cations

Garau Rosselló, Carolina; Quiñonero Santiago, David; Frontera Beccaria, Antonio; Ballester Balaguer, Pablo José; Costa Torres, Antonio; Deyà Serra, Pere Maria
Internal rotation in squaramide and related compounds. A theoretical ab initio study

Deyà Serra, Pere Maria; Frontera Beccaria, Antonio; Suñer, Guillem A.; Quiñonero Santiago, David; Garau Rosselló, Carolina; Costa Torres, Antonio; Ballester Balaguer, Pablo José
OPLS All-Atom Force Field for Squaramides and Squaric Acid

Quiñonero Santiago, David; Tomàs, Salvador; Frontera Beccaria, Antonio; Ballester Balaguer, Pablo José; Garau Rosselló, Carolina; Costa Torres, Antonio; Deyà Serra, Pere Maria
A Theoretical Study of Aromaticity in Squaramide and Oxocarbons

Quiñonero Santiago, David; Frontera Beccaria, Antonio; Ballester Balaguer, Pablo José; Deyà Serra, Pere Maria
Predicting experimental complexation-induced changes in 1H NMR chemical shift for complexes between Zinc-porphyrins and Amines using the ab inito GIAO-HF methodology

Gomila, Rosa María; Quiñonero Santiago, David; Rotger Pons, María del Carmen; Garau Rosselló, Carolina; Frontera Beccaria, Antonio; Ballester Balaguer, Pablo José; Costa Torres, Antonio; Deyà Serra, Pere Maria
Cation-pi versus anion-pi interactions: a comparative ab initio study based on energetic, electron charge density and aromatic features

Garau Rosselló, Carolina; Frontera Beccaria, Antonio; Quiñonero Santiago, David; Ballester Balaguer, Pablo José; Costa Torres, Antonio; Deyà Serra, Pere Maria

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- 2015 (1)

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