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Showing 10 out of a total of 133 results. (0.008 seconds)

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pH Dependent Formation of Unprecedented Water¿Bromide Cluster in the Bromide Salts of PTP Assisted by Anion-pi Interactions: Synthesis, Structure, and DFT Study

Prankrishna, Manna; Seth, Saikat Kumar; Bauzá Riera, Antonio; Mitra, Monojit; Choudhury, Somnath Ray; Frontera Beccaria, Antonio; Mukhopadhyay, Subrata
Synthesis, structures and DFT study of CuBr based coordination polymers via in situ reduction of copper(II)

Jana, Subrata; Harms, Klaus; Bauzá Riera, Antonio; Frontera Beccaria, Antonio; Chattopadhyay, Shouvik
Interplay between ion-pi and Ar/pi Van der Waals interactions

Quiñonero Santiago, David; Frontera Beccaria, Antonio; Deyà Serra, Pere Maria
Unexpected nonadditivity effects in anion-pi complexes

Estarellas Martín, Carolina; Frontera Beccaria, Antonio; Quiñonero Santiago, David; Deyà Serra, Pere Maria
Experimental and theoretical study of uracil derivatives: the crucial role of weak fluorine-fluorine noncovalent interactions.

Barceló Oliver, Miquel; Estarellas Martín, Carolina; García-Raso, Ángel; Terrón Homar, Ángel; Frontera Beccaria, Antonio; Quiñonero Santiago, David; Mata, Ignasi; Molins, Elies; Deyà Serra, Pere Maria
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
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
Predicting experimental complexation-induced changes in 1H NMR chemical shift for complexes between Zinc-porphyrins and Amines using the ab inito GIAO-HF methodology

Gomila, Rosa María; Quiñonero Santiago, David; Rotger Pons, María del Carmen; Garau Rosselló, Carolina; Frontera Beccaria, Antonio; Ballester Balaguer, Pablo José; Costa Torres, Antonio; Deyà Serra, Pere Maria

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