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

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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
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
A New Family of Ni4 and Ni6 Aggregates from Self-Assembly of [Ni2] Building Units: Role of Carboxylate and Carbonate Bridges

Pait, Moumita; Bauzá Riera, Antonio; Frontera Beccaria, Antonio; Colacio, Enrique; Ray, Debashis
New Oxo Centered Basic p-Chlorobenzoate Bridging Heterotrinuclear Complex, [Cr2MnO(C7H4O2Cl)6(Py)3]C7H5O2Cl: Synthesis, X-ray Crystal Structure, and Theoretical DFT Study

Khosravi, Iman; Mirzaei, Masoud; Bauzá Riera, Antonio; Frontera Beccaria, Antonio; Eftekhar, Melika
A Dodecanuclear Copper(II) Cage Self-Assembled from Six Dicopper Building Units

Ghosh, Aoke Kumar; Pait, Moumita; Clérac, Rodolphe; Mathoniere, Corine; Bertolasi, Valerio; Frontera Beccaria, Antonio; Bauzá Riera, Antonio; Pramanik, Kausikisankar; Ray, Debashis
Squaramide as a binding unit in molecular recognition

Quiñonero Santiago, David; Frontera Beccaria, Antonio; Suñer, Guillem A.; Morey Salvà, Jeroni; Costa Torres, Antonio; Ballester Balaguer, Pablo José; Deyà Serra, Pere Maria
The Nature of Non-Covalent Carbon Bonding Interaction Derived from Experimental Charge-Density Analysis

Escudero-Adán, Eduardo C.; Bauzá Riera, Antonio; Frontera Beccaria, Antonio; Ballester Balaguer, Pablo José
OPLS All-Atom Force Field for Squaramides and Squaric Acid

Quiñonero Santiago, David; Tomàs, Salvador; Frontera Beccaria, Antonio; Ballester Balaguer, Pablo José; Garau Rosselló, Carolina; Costa Torres, Antonio; Deyà Serra, Pere Maria
Synthesis, Structure and Binding Properties of Lipophilic Cavitands based on a Calix[4]pyrrole-Resorcinarene Hybrid Scaffold

Galan, Albano; Escudero-Adán, Eduardo C.; Frontera Beccaria, Antonio; Ballester Balaguer, Pablo José
Feasibility of Single-Walled Carbon Nanotubes as Materials for CO2 Adsorption: A DFT Study

Quiñonero Santiago, David; Frontera Beccaria, Antonio; Deyà Serra, Pere Maria

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