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Showing 10 out of a total of 133 results. (0.04 seconds)

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Ab initio calculations on Zinc Porphirins Complexec to Amines. Geometrical Details and NMR Chemical Shifts

Gomila Ribas, Rosa Maria; Quiñonero Santiago, David; Frontera Beccaria, Antonio; Ballester Balaguer, Pablo José; Deyà Serra, Pere Maria
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
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
Experimental observation and theoretical investigation on a novel Cd(II) complex with π-hole interaction involving nitro groups

Roy, Ssubhadip; Bauzá Riera, Antonio; Frontera Beccaria, Antonio; Banik, Rupak; Purkayastha, Atanu; Drew, Michael G. B.; Reddy, Benjaram M.; Sridhar, Balasubramanian; Das, Saroj Kr.; Das, Subrata
From Monomers to Polymers: Steric and Supramolecular Effects on Dimensionality of Coordination Architectures in Heteroleptic Mercury(II) Halogenide ¿ Tetradentate Schiff Base Complexes

Mahmoudi, Ghodrat; Stilinovic, Vladimir; Servati-Gargari, Masoumeh; Bauzá Riera, Antonio; Zaragoza, Guillermo; Kaminsky, Werner; Lynch, Vincent; Choquesillo-Lazarte, Duane; Sivakumar, K.; Khandar, Ali Akbar; Frontera Beccaria, Antonio
Two Types of Nitrito Support for μ4-Oxido-Bridged [Cu4] Complexes: Synthesis, Crystal Structures, Magnetic Properties and DFT Analysis

Pait, Moumita; Shatruk, Michael; Lengyel, Jeff; Gómez-Coca, Silvia; Bauzá Riera, Antonio; Frontera Beccaria, Antonio; Bertolasi, Valerio; Ray, Debashis
Erroneous behaviour of the widely used MP2(full)/aug-cc-pVXZ (X = D, T) level of theory for evaluating the BSSE in ion-pi complexes

Estarellas Martín, Carolina; Lucas, Xavier; Frontera Beccaria, Antonio; Quiñonero Santiago, David; Deyà Serra, Pere Maria
Computational study of anion recognition based on tetrel and hydrogen bonding interaction by calix[4]pyrrole derivatives

Bauzá Riera, Antonio; Ramis Cortés, Rafael; Frontera Beccaria, Antonio
Enantiopure bisphosphine ligands with appended crown ether groups as regulation sites for Rh-mediated hydrogenations

Fernández-Pérez, Héctor; Mon, Ignasi; Frontera Beccaria, Antonio; Vidal-Ferran, Anton

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