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Showing 10 out of a total of 161 results. (0.009 seconds)

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Self-assembly hexanuclear metallacontainer hosting halogenated guest species and sustaining structure of 3D coordination framework

Govor, Evgen V.; Lysenko, Andrey B.; Quiñonero Santiago, David; Rusanov, Edward B.; Chernega, Alexander N.; Moellmer, Jens; Staudt, Reiner; Krautscheid, Harald; Frontera Beccaria, Antonio; Domasevitch, Konstantin V.
Halogen bonding versus chalcogen and pnicogen bonding: a combined Cambridge structural database and theoretical study

Bauzá Riera, Antonio; Quiñonero Santiago, David; Deyá Serra, Pere Maria; 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
A Topological Analysis of Charge Density in Complexes between Derivatives of Squaric Acid and Ammonium Cation

Quiñonero Santiago, David; Frontera Beccaria, Antonio; Ballester Balaguer, Pablo José; Garau Rosselló, Carolina; Costa Torres, Antonio; Deyà Serra, Pere Maria
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
Rationalization of noncovalent interactions within six new MII/8-aminoquinoline supramolecular complexes (MII = Mn, Cu, and Cd): A combined experimental and theoretical DFT study

Mirzaei, Masoud; Eshtiagh-Hosseini, Hossein; Bolouri, Zahra; Rahmati, Zahra; Esmaeilzadeh, Atefeh; Hassanpoor, Azam; Bauzá Riera, Antonio; Ballester Balaguer, Pablo José; Barcelo-Oliver, Miquel; Mague, Joel T.; Notash, Behrouz; Frontera Beccaria, Antonio
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; Barcelo-Oliver, Miquel; Frontera Beccaria, Antonio
Relevant and Unprecedented C-H/sigma Supramolecular Interactions Involving sigma-Aromatic M2X2 Cores

Sasmal, Ashok; Bauzá Riera, Antonio; Frontera Beccaria, Antonio; Rizzoli, Corrado; Desplanches, Cédric; Charbonniere, Loïc J.; Mitra, Samiran
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

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