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Showing 10 out of a total of 50 results for community: Producció científica. (0.012 seconds)

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Cation-pi versus Anion-pi Interactions: Energetic, Charge Transfer, and Aromatic Aspects

Garau, C.; Frontera, A.; Quiñonero, D.; Ballester, P.; Costa, A.; Deya, P.M.
Ab initio Investigations of Lithium Diffusion in Single-Walled Carbon Nanotubes

Garau, C.; Frontera, A.; Quiñonero, D.; Ballester, P.; Costa, A.; Deya, P.M.
A Theoretical Ab Initio Study of the Capability of Several Binding Units for the Molecular Recognition of Anions

Frontera, A.; Garau, C.; Quiñonero, D.; Ballester, P.; Costa, 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.
Salt-bridge-pi (sb-pi) interactions at work: associative interactions of sb-pi, pi-pi and anion-pi in Cu(II)-malonate-2-aminopyridine-hexafluoridophosphate ternary system

Mitra, M.; Manna, P.; Seth, S.K.; Das, A.; Meredith, J.; Helliwell, M.; Bauza, A.; Choudhury, S.R.; Frontera, A.; Mukhopadhyay, Subrata
M(II)-malonate complexes (M = Mg, Cu, Ni and Co) characterized by layered structures: experimental observation, hirshfeld surface analysis and theoretical study

Mitra, M.; Seth, S.K.; Choudhury, S.R.; Manna, P.; Das, A.; Helliwell, M.; Bauzá, A.; Mukhopadhyay, S.; Frontera, A.
Structural characterization, recognition patterns and theoretical calculations of long-chain N-alkyl substituted purine and pyrimidine bases as ligands: on the importance of anion-pi interactions

Fiol, J.J.; Barceló-Oliver, M.; Tasada, A.; Frontera, A.; Terrón, A.; García-Raso, A.
Metallomacrocycles as anion receptors: combining hydrogen bonding and ion pair based hosts formed from Ag(I) salts and flexible bis- and tris-pyrimidine ligands

Tasada, A.; Albertí, F.M.; Bauzá, A.; Barceló-Oliver, M.; García-Raso, A.; Fiol, J.J.; Molins, E.; Caubet, A.; Frontera, A.
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.

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