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Rationalization of noncovalent interactions within six new MII/8-aminoquinoline supramolecular complexes (MII = Mn, Cu, and Cd): A combined experimental and theoretical DFT study

Mirzaei, Masoud; Eshtiagh-Hosseini, Hossein; Bolouri, Zahra; Rahmati, Zahra; Esmaeilzadeh, Atefeh; Hassanpoor, Azam; Bauzá Riera, Antonio; Ballester Balaguer, Pablo José; Barcelo-Oliver, Miquel; Mague, Joel T.; Notash, Behrouz; Frontera Beccaria, Antonio
On the importance of non covalent interactions in the structure of coordination Cu(II) and Co(II) complexes of pyrazine- and pyridine-dicarboxylic acid derivatives: Experimental and theoretical views

Mirzaei, Masoud; Eshtiagh-Hosseini, Hossein; Bauzá Riera, Antonio; Mague, Joel T.; Ballester Balaguer, Pablo José; Frontera Beccaria, Antonio; Zarghami, Sara
Long range effects in anion-pi interactions: their crucial role in the inhibition mechanism of Mycobacterium tuberculosis malate synthase

Bauzá Riera, Antonio; Quiñonero Santiago, David; Deyà Serra, Pere Maria; Frontera Beccaria, Antonio
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
Experimental and theoretical study of N1-hexylcytosine and N1-hexylcytosinium nitrate: the crucial role of hydrophobic and anion¿pi interactions

Barceló-Oliver, Miquel; Bauzá Riera, Antonio; Baquero, Beatriz A.; García-Raso, Ángel; Terrón Homar, Ángel; Molins, Elies; Frontera Beccaria, Antonio
The influence of H-bonding on the ¿ambidentate¿ coordination behaviour of thiocyanate ion to Cd(II): A combined experimental and theoretical study

Hazari, Alokesh; Das, Lakshmi Kanta; Bauzá Riera, Antonio; Frontera Beccaria, Antonio; Ghosh, Ashutosh
MP2 Study of Cation-(pi)n-pi Interactions (n = 1-4).

Frontera Beccaria, Antonio; Quinonero Santiago, David id; Garau Rosselló, Carolina; Costa Torres, Antonio; Ballester Balaguer, Pablo José; Deyà Serra, Pere Maria
Coordination complexes exhibiting anion-pi interactions: synthesis, structure and theoretical studies

Barrios, Leoní A.; Aromi, Guillem; Frontera Beccaria, Antonio; Quiñonero Santiago, David; Deyà Serra, Pere Maria; Gámez, Patrick; Roubeau, Olivier; Shotton, Elizabeth J.; Teat, Simon J.
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

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