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Showing 10 out of a total of 133 results. (0.01 seconds)

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Rational Design, Synthesis and Application of a New Receptor for the Molecular Recognition of Tricarboxylate Salts in Aqueous Media

Frontera Beccaria, Antonio; Morey Salvà, Jeroni; Oliver, A.; Piña Capó, María de la Nieves; Quinonero Santiago, David; Costa Torres, Antonio; Ballester Balaguer, Pablo José; Deyà Serra, Pere Maria; Anslyn, Eric V.
Understanding the Forces That Govern Packing: A Density Functional Theory and Structural Investigation of Anion-pi-Anion and Nonclassical C-H···Anion Interactions

Brooker, Sally; White, Nicholas G.; Bauzá Riera, Antonio; Deyà, Pere Maria; 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
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
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
A Topological Analysis of the Electron Density in Anion-pi Interactions.

Garau Rosselló, Carolina; Frontera Beccaria, Antonio; Quiñonero Santiago, David; Ballester Balaguer, Pablo José; Costa Torres, Antonio; Deyà Serra, Pere Maria
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
A Combined Experimental and Theoretical Investigation on the Role of Halide Ligands on the Catecholase-like Activity of Mononuclear Nickel(II) Complexes with a Phenol-Based Tridentate Ligand

Adhikary, Jaydeep; Chakraborty, Prateeti; Das, Sudhanshu; Chattopadhyay, Tanmay; Bauzá Riera, Antonio; Chattopadhyay, Shyamal Kumar; Ghosh, Bipinbihari; Mautner, Franz A.; Frontera Beccaria, Antonio; Das, Debasis
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; Barceló Oliver, Miquel; Mague, Joel T.; Notash, Behrouz; Frontera Beccaria, Antonio
Syntheses, structures, properties and DFT study of hybrid inorganic¿organic architectures constructed from trinuclear lanthanide frameworks and Keggin-type polyoxometalates

Mirzaei, Masoud; Eshtiagh Hosseini, Hossein; Lotfian, Nahid; Salimi, Alireza; Bauzá Riera, Antonio; Van Deun, Rik; Decadt, Roel; Barceló Oliver, Miquel; Frontera Beccaria, Antonio

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