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Showing 10 out of a total of 133 results for community: Articles. (0.706 seconds)

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Quadrupole Moment versus Molecular Electrostatic Potential: strange behaviour of ethynyl-substituted benzenes

Bauzá Riera, Antonio; Quiñonero Santiago, David; Deyà Serra, Pere Maria; Frontera Beccaria, Antonio
Preparation, Solid-State Characterization, and Computational Study of a Crown Ether Attached to a Squaramide.

Frontera Beccaria, Antonio; Orell, Maria; Garau Rosselló, Carolina; Quiñonero Santiago, David; Molins, Elies; Mata, Ignasi; Morey Salvà, Jeroni
Interaction of positively and negatively charged aromatic hydrocarbons with benzene and triphenylene: Towards a model of pure organic insulators

Quiñonero Santiago, David; Frontera Beccaria, Antonio; Deyà Serra, Pere Maria; Alkorta, Ibon; Elguero, José
Unprecedented structural variations in trinuclear mixed valence Co(II/III) complexes derived from a Schiff base and its reduced form: Theoretical studies, pnicogen bonding interactions and catecholase-like activities

Hazari, Alokesh; Das, Lakshmi Kanta; Kadam, Ramakant M.; Bauzá Riera, Antonio; Frontera Beccaria, Antonio; Ghosh, Ashutosh
Thermodynamic Characterization of Halide-pi Interactions in Solution using "Two-wall" Aryl extended Calix[4]pyrroles as Model System

Adriaenssens, Louis; Gil-Ramírez, Guzmán; Frontera Beccaria, Antonio; Quiñonero Santiago, David; Escudero-Adán, Eduardo C.; Ballester Balaguer, Pablo José
Synthesis, crystal structure, antimicrobial screening and density functional theory calculation of Nickel (II), Cobalt (II) and Zinc (II) mononuclear Schiff base complexes

Saha, Sandeepta; Sasmal, Ashok; Choudhury, Chirantan Roy; Pilet, Guillaume; Bauzá Riera, Antonio; Frontera Beccaria, Antonio; Chakraborty, Sharmila; Mitra, Samiran
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

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