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Synthesis, structure and DFT studies of a chelidamic acid based Cu coordination polymer: On the importance of pi-pi interactions and hexameric water cluster

Mirzaei, Masoud; Eshtiagh-Hosseini, Hosseine; Karrabi, Zahra; Notash, Behrouz; Bauzá Riera, Antonio; Frontera Beccaria, Antonio
Quadrupole Moment versus Molecular Electrostatic Potential: strange behaviour of ethynyl-substituted benzenes

Bauzá Riera, Antonio; Quiñonero Santiago, David; Deyà Serra, Pere Maria; Frontera Beccaria, Antonio
Synthesis, Crystal Structure, Magnetic Property and DFT Calculations of an Unusual Dinuclear mu2-Alkoxido Bridged Iron(III) Complex

Biswas, Rituparna; Díaz, Carmen; Bauzá Riera, Antonio; Frontera Beccaria, Antonio; Ghosh, Ahutosh
On the directionality of anion-pi interactions

Estarellas Martín, Carolina; Bauzá Riera, Antonio; Frontera Beccaria, Antonio; Quiñonero Santiago, David; Deyà Serra, Pere Maria
Differences in Nuclearity, Molecular Shapes, and Coordination Modes of Azide in the Complexes of Cd(II) and Hg(II) with a 'Metalloligand' [CuL] (H2L = N,N'-Bis(salicylidene)-1,3-propanediamine): Characterization in Solid and in Solutions, and Theoretical Calculations

Das, Lakshmi Kanta; Kadam, Ramakant M.; Bauzá Riera, Antonio; Frontera Beccaria, Antonio; Ghosh, Ashutosh
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
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
Analysis of the contribution of the pi-acidity of the s-tetrazine ring in the crystal packing of coordination polymers

Seth, Piya; Bauzá Riera, Antonio; Frontera Beccaria, Antonio; Massera, Chiara; Gamez, Patrick; Ghosh, Ashutosh
Unprecedented structural variations in trinuclear mixed valence Co(II/III) complexes derived from a Schiff base and its reduced form: Theoretical studies, pnicogen bonding interactions and catecholase-like activities

Hazari, Alokesh; Das, Lakshmi Kanta; Kadam, Ramakant M.; Bauzá Riera, Antonio; Frontera Beccaria, Antonio; Ghosh, Ashutosh
Synthesis, crystal structure, antimicrobial screening and density functional theory calculation of Nickel (II), Cobalt (II) and Zinc (II) mononuclear Schiff base complexes

Saha, Sandeepta; Sasmal, Ashok; Choudhury, Chirantan Roy; Pilet, Guillaume; Bauzá Riera, Antonio; Frontera Beccaria, Antonio; Chakraborty, Sharmila; Mitra, Samiran

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