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Showing 10 out of a total of 133 results. (0.007 seconds)

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Adenine as a Halogen Bond Acceptor: A combined experimental and DFT study

Roselló, Yannick; Benito, Mónica; Molins, Elies; Barceló Oliver, Miquel; Frontera Beccaria, Antonio
Internal rotation in squaramide and related compounds. A theoretical ab initio study

Deyà Serra, Pere Maria; Frontera Beccaria, Antonio; Suñer, Guillem A.; Quiñonero Santiago, David; Garau Rosselló, Carolina; Costa Torres, Antonio; Ballester Balaguer, Pablo José
Predicting Experimental Complexation-Induced Changes in 1H-NMR Chemical Shifts for Complexes between metalloPorphyrins and ligands Using the ab-Initio/Giao-HF Methodology

Gomila Ribas, Rosa María; Quiñonero Santiago, David; Garau Rosselló, Carolina; Frontera Beccaria, Antonio; Ballester Balaguer, Pablo José; Costa Torres, Antonio; Deyà Serra, Pere Maria a
Syntheses, crystal structures and density functional theoretical investigations of copper(II) complexes bearing tridentate Schiff base ligands derived from 8-aminoquinoline

Bhaumik, P. K.; Bauza Riera, Antonio; Frontera Beccaria, Antonio; Chattopadhyay, Shouvik
The N-atom in [N(PR3)2]+ cations (R = Ph, Me) can act as electron donor for (pseudo) anti-electrostatic interactions

Bauzá Riera, Antonio; Frontera Beccaria, Antonio; Mooibroek,Tiddo J.; Reedijk, Jan
Combined Experimental and Theoretical Investigation on Ligand and Anion Controlled Complex Formation with Unprecedented Structural Features and Photoluminescence Property of Zinc(II) Complexes

Chakraborty, Prateeti; Adhikary, Jaydeep; Samanta, Sugata; Escudero, Daniel; Castro, Abril C.; Swart , Marcel; Bauzá Riera, Antonio; Frontera Beccaria, Antonio; Ghosh, Sanjib; Zangrando, Ennio; Das, Debasis
Crystal engineering with coordination compounds of NiII, CoII, CrIII, and CdII bearing 2,6-dicarboxy-4-hydroxypyridine and 9-aminoacridine fragments driven by different nature of the face-to-face pi∙∙∙pi stacking: X-ray structures, DFT calculations, and solution studies

Mirzaei, Masoud; Eshtiagh-Hosseini, Hossein; Zarghami, Sara; Bauzá Riera, Antonio; Frontera Beccaria, Antonio; Mague, Joel T.; Habibi Morteza; Shamsipur, Mojtaba
A combined experimental and theoretical study of the supramolecular self-assembly of Cu(II) malonate complex assisted by various weak forces and water dimer

Manna, Prankrishna; Choudhury, Somnath Ray; Mitra, Monojit; Seth, Saikat Kumar; Helliwell, Madeleine; Bauzá Riera, Antonio; Frontera Beccaria, Antonio; Mukhopadhyay, Subrata
Molecular Recognition of Nucleotides in Water by Scorpiand-type Receptors based on Nucleobase Discrimination.

Inclán, Mario; Albelda, María Teresa; Carbonell, Esther; Blasco, Salvador; Bauzá Riera, Antonio; Frontera Beccaria, Antonio; García-España, Enrique
Analyses of supramolecular interactions present in a coordination polymer of Mn(II) with 2-picolinate and 4,4′-Azobis(pyridine)

Seth, Piya; Frontera Beccaria, Antonio; Ghosh, Ashutosh; Bauzá Riera, Antonio

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