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Showing 10 out of a total of 22 results. (0.022 seconds)

Now showing items 1-10 of 22

Theoretical and Experimental Study of Cooperativity Effects in Noncovalent Interactions

Estarellas Martín, Carolina (Universitat de les Illes Balears, )
On the directionality of anion-pi interactions

Estarellas Martín, Carolina; Bauzá Riera, Antonio; Frontera Beccaria, Antonio; Quiñonero Santiago, David; Deyà Serra, Pere Maria
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
Hydrogen-bond assisted stabilization of the less favored conformation of a tridentate Schiff base ligand in dinuclear nickel(II) complex: An experimental and theoretical study

Naiya, Subrata; Drew, Micahael G.B.; Estarellas Martín, Carolina; Frontera Beccaria, Antonio; Ghosh, Ashutosh
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
Supramolecular self-assembly of M-IDA complexes involving lone pair center dot center dot center dot pi interactions: crystal structures, Hirshfield surface analysis, and DFT calculations [H(2)IDA =iminodiacetic acid, M = Cu(II), Ni(II)]

Seth, Saikat Kumar; Saha, Indranil; Estarellas Martín, Carolina; Frontera Beccaria, Antonio; Kar, Tanusree; Mukhopadhyay, Subrata
Supramolecular assemblies involving anion-pi and lone pair-pi interactions: experimental observation and theoretical analysis

Das, Amrita; Choudhury, Somnath Ray; Estarellas Martín, Carolina; Dey, Biswajit; Frontera Beccaria, Antonio; Hemming, Joanna; Helliwell, Madeleine; Gamez, Patrick; Mukhopadhyay, Subrata
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
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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