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Showing 10 out of a total of 10 results for community: Articles. (0.006 seconds)

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Radical cation (C(·+)-pi) and radical anion (A(·-)-pi) interactions with aromatic rings: energetic, orbitalic and spin density considerations

Estarellas Martín, Carolina; Frontera Beccaria, Antonio; Quiñonero Santiago, David; Deyà Serra, Pere Maria
On the directionality of anion-pi interactions

Estarellas Martín, Carolina; Bauzá Riera, Antonio; Frontera Beccaria, Antonio; Quiñonero Santiago, David; Deyà Serra, Pere Maria
MP2 study of the dual sigma/pi anion-binding affinity of fluorinated phthallic acid anhydrides

Estarellas Martín, Carolina; Quiñonero Santiago, David; Frontera Beccaria, Antonio; Ballester Balaguer, Pablo José; Morey Salvà, Jeroni; Costa Torres, Antonio; Deyà Serra, Pere Maria
Unexpected nonadditivity effects in anion-pi complexes

Estarellas Martín, Carolina; Frontera Beccaria, Antonio; Quiñonero Santiago, David; 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
Experimental and theoretical study of uracil derivatives: the crucial role of weak fluorine-fluorine noncovalent interactions.

Barceló Oliver, Miquel; Estarellas Martín, Carolina; García-Raso, Ángel; Terrón Homar, Ángel; Frontera Beccaria, Antonio; Quiñonero Santiago, David; Mata, Ignasi; Molins, Elies; Deyà Serra, Pere Maria
Cooperativity in multiple unusual weak bonds

Alkorta, Ibon; Blanco, Fernando; Deyà Serra, Pere Maria; Elguero, José; Estarellas Martín, Carolina; Frontera Beccaria, Antonio; Quiñonero Santiago, David
Cooperativity effects between non-covalent interactions: are they important for Z-DNA stability?

Escudero, Daniel; Estarellas Martín, Carolina; Frontera Beccaria, Antonio; Quiñonero Santiago, David; Deyà Serra, Pere Maria
A methodological analysis for the assessment of noncovalent pi interactions

Quiñonero Santiago, David; Estarellas Martín, Carolina; Frontera Beccaria, Antonio; Deyà Serra, Pere Maria
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

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