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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
Feasibility of Single-Walled Carbon Nanotubes as Materials for CO2 Adsorption: A DFT Study

Quiñonero Santiago, David; Frontera Beccaria, Antonio; Deyà Serra, Pere Maria
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
s-Tetrazine as a New Binding Unit in Molecular Recognition of Anions

Garau Rosselló, Carolina; Quiñonero Santiago, David; Frontera Beccaria, Antonio; Costa Torres, Antonio; Ballester Balaguer, Pablo José; Deyà Serra, Pere Maria
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
Intramolecular Noncovalent Force in Cyclic Amidines: Nonbonded Interaction between Carbon Atoms and Heteroatoms

Qian, Xuhong; Xu, Xiaoyong; Li, Zhibin; Frontera Beccaria, Antonio
Supramolecular assembly of Mg(II) complexes directed by associative lone pair-pi/pi-pi/pi-anion-pi/pi-lone pair interactions

Das, Amrita; Choudhury, Somnath Ray; Dey, Biswajit; Yalamanchili, Sampath Kumar; Helliwell, Madeleine; Gamez, Patrik; Mukhopadhyay, Subrata; Estarellas Martín, Carolina; Frontera Beccaria, Antonio
Effect of a methyl group on the spontaneous resolution of a square-pyramidal coordination compound: crystal packing and conglomerate formation

Biswas, Apurba; Estarellas Martín, Carolina; Frontera Beccaria, Antonio; Ballester Balaguer, Pablo José; Drew, Michael G. B.; Gamez, Patrick; Ghosh, Ashutosh

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