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High-Level Ab Initio Study of Anion-pi Interactions in Pyridine and Pyrazine Rings Coordinated to Ag(I)

Quiñonero, D.; Frontera, A.; Deyà, P.M.
Crystal Structures and DFT calculations of new chlorido-dimethylsulfoxide-M(III) (M= Ir, Ru, Rh) complexes with the N-pyrazolyl pyrimidine donor ligand: kinetic vs. thermodynamic isomers

Cánaves, M.M.; Cabra, M.I.; Bauzá, A.; Cañellas, P.; Sánchez, K.; Orvay, F.; García-Raso, A.; Fiol, J.J.; Terrón, A.; Barceló-Oliver, M.; Ballester, P.; Mata, I.; Molins, E.; Hussain, F.; Frontera, A.
Synthesis, X-Ray characterization and DFT studies of bis-N-imidazolylpyrimidine salts: the prominent role of hydrogen bonding and anion-Pi interactions

Orvay, F.; Bauzá, A.; Barceló-Oliver, M.; García-Raso, A.; Fiol, J.J.; Costa, A.; Molins, E.; Mata,I.; Frontera, A.
Synthesis, X-ray Characterization and DFT Studies of N-benzimidazolyl-pyrimidineM(II) complexes (M = Cu, Co and Ni): the prominent role of pihole and anionpi interactions

Cañellas, S.; Bauza, A.; Lancho, A.; Garcia-Raso, A.; Fiol, J.J.; Molins, M.; Ballester, P.; Frontera, A.
Synthesis, crystal structures, magnetic properties and DFT calculations of nitrate and oxalate complexes with 3,5 dimethyl-1-(2΄-pyridyl)-pyrazole-Cu(II)

Pal, P.; Konar, S.; Salah-El Fallah, M.; Das, K.; Bauza, A.; Frontera, A.; Mukhopadhyay, S.
On the reliability of pure and hybrid DFT methods for the evaluation of halogen, chalcogen and pnicogen bonds involving anionic and neutral electron donors

Bauza, A.; Alkorta, I.; Frontera, A.; Elguero, J.
Self-assembly cavitand precisely recognizing hexafluorosilicate: a concerted action of two coordination and twelve CH···F bonds

Degtyarenko, A.S.; Rusanov, E.B.; Bauza, A.; Frontera, A.; Krautscheid, H.; Chernega, A.N.; Mokhir, A.A.; Domasevitch, K.V.
Reversible Switching of the Electronic Ground State in a Pentacoordinated Copper(II) Complex

Sasmal, A.; Saha, S.; Gomez Garcia, C.J.; Desplanches, C.; Garribba, E.; Bauza, A.; Frontera, A.; Scott, R.; Butcher, R.J.; Mitra, S.
New chlorido(dimethyl sulfoxide)iridium (III) complexes with N(6)-adenine substituted adenines- kinetic N(7) versus thermodynamic N(9) coordinated adenine isomers

García-Raso, A.; Fiol, J. J.; Albertí, F.M.; Lagos, Y.; Torres, M.; Barceló-Oliver, M.; Prieto, M.J.; Moreno, V.; Mata, I.; Molins, E; Estarellas, C.; Frontera, A.; Quiñonero, D.; Deyà, P.M.
New Chlorido(dimethyl sulfoxide)iridium(III) Complexes with N6‐Substituted Adenines - Kinetic N(7) versus Thermodynamic N(9) Coordinated Adenine Isomers

García-Raso, A.; Fiol, J.J.; Albertí, F.M.; Lagos, Y.; Torres, M.; Barceló-Oliver, M.; Prieto, M.J.; Moreno, V.; Mata, I.; Molins, E.; Estarellas, C.; Frontera, A.; Quiñonero, D.; Deyà, P.M.

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