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Showing 10 out of a total of 161 results. (0.008 seconds)

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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
Preparation, Solid-State Characterization, and Computational Study of a Crown Ether Attached to a Squaramide.

Frontera Beccaria, Antonio; Orell, Maria; Garau Rosselló, Carolina; Quiñonero Santiago, David; Molins, Elies; Mata, Ignasi; Morey Salvà, Jeroni
Interaction of positively and negatively charged aromatic hydrocarbons with benzene and triphenylene: Towards a model of pure organic insulators

Quiñonero Santiago, David; Frontera Beccaria, Antonio; Deyà Serra, Pere Maria; Alkorta, Ibon; Elguero, José
Induced-Polarization Energy Map: A Helpful Tool for Predicting Geometric Features of Anion-pi Complexes

Escudero, Daniel; Frontera Beccaria, Antonio; Quiñonero Santiago, David; Costa Torres, Antonio; Ballester Balaguer, Pablo José; Deyà Serra, Pere Maria
Theoretical ab initio study of lone pair and anion-pi interactions in fluorinated tropolones

Bauzá Riera, Antonio; Quiñonero Santiago, David; Deyà Serra, Pere Maria; Frontera Beccaria, Antonio
Trinuclear and tetranuclear adduct formation between sodium perchlorate and copper(II) complexes of salicylaldimine type ligands: structural characterization and theoretical investigation

Biswas, Saptarshi; Naiya, Subrata; Drew, Michael G.B.; Estarellas Martín, Carolina; Frontera Beccaria, Antonio; Ghosh, Ashutosh
On the directionality of anion-pi interactions

Estarellas Martín, Carolina; Bauzá Riera, Antonio; Frontera Beccaria, Antonio; Quiñonero Santiago, David; 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
Thermodynamic Characterization of Halide-pi Interactions in Solution using "Two-wall" Aryl extended Calix[4]pyrroles as Model System

Adriaenssens, Louis; Gil-Ramírez, Guzmán; Frontera Beccaria, Antonio; Quiñonero Santiago, David; Escudero-Adán, Eduardo C.; Ballester Balaguer, Pablo José
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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