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Understanding the Forces That Govern Packing: A Density Functional Theory and Structural Investigation of Anion-pi-Anion and Nonclassical C-H···Anion Interactions

Brooker, Sally; White, Nicholas G.; Bauzá Riera, Antonio; Deyà, Pere Maria; Frontera Beccaria, Antonio
Synthesis, structure, solution and DFT studies of a pyrazine-bridged binuclear Cu(II) complex: On the importance of noncovalent interactions in the formation of crystalline network

Mirzaei, M.; Eshtiagh-Hosseini, H.; Karrabi, Z.; Notash, B.; Bauzá Riera, Antonio; Frontera Beccaria, Antonio; Habibi, M.; Ardalani, M.; Shamsipur, M.
The N-atom in [N(PR3)2]+ cations (R = Ph, Me) can act as electron donor for (pseudo) anti-electrostatic interactions

Bauzá Riera, Antonio; Frontera Beccaria, Antonio; Mooibroek,Tiddo J.; Reedijk, Jan
Hydrothermal synthesis, X¿ray structure and DFT and magnetic studies of a novel (H2SiW12O40)2¿ based one¿dimensional linear coordination polymer via in situ transformation of pyridine¿2,3¿dicarboxylic acid into nicotinic and 2¿hydroxynicotinic acids

Mirzaei, Masoud; Eshtiagh-Hosseini, Hosseini; Alipour, Mahboubeh; Bauzá Riera, Antonio; Mague, Joel T.; Korabik, Maria; Frontera Beccaria, Antonio
Triple-bridged ferromagnetic nickel(II) complexes derived from a tridentate NNO donor Schiff base ligand: A combined experimental and theoretical DFT study on stabilization and magnetic coupling

Biswas, Rituparna; Diaz, Carmen; Bauzá Riera, Antonio; Barceló Oliver, Miquel; Frontera Beccaria, Antonio; Ghosh, Ashutosh
Synthesis, Structural Characterization, Theoretical Calculations and Catecholase Mimetic Activity of Manganese-Schiff base Complexes

Maiti, Monami; Sadhukhan, Dipali; Thakurta, Santarupa; Zangrando, Ennio; Pilet, Guillaume; Bauzá Riera, Antonio; Frontera Beccaria, Antonio; Dede, Bülent; Mitra, Samiran
Cadmium(II) complexes containing N,N´-dimethylvioluric acid as ligand or counteranion: Synthesis, characterization, crystal structures and DFT study

Banik, Rupak; Roy, Subhadip; Bauzá Riera, Antonio; Frontera Beccaria, Antonio; Das, Subrata
Electronic Structure of N2P2 Four-Membered Rings and the Effect of Their Ligand Coordination to M(CO)5 (Cr, Mo, and W)

Bauzá Riera, Antonio; Escudero, Daniel; Frontera Beccaria, Antonio; Streubel, Rainer
A new solvated complex of the uranyl ion (UO22+) with 8-hydroxyquinoline

Mirzaei, Masoud; Hassanpoor, Azam; Mague, Joel T.; Bauzá Riera, Antonio; Frontera Beccaria, Antonio
On the Relationship between Ring Strain Energies and 'atoms-in-molecules' Properties in N2P2 Rings

Bauzá Riera, Antonio; Streubel, Rainer; Frontera Beccaria, Antonio

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