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Showing 10 out of a total of 50 results. (0.01 seconds)

Now showing items 21-30 of 50

RNAs' uracil quartet model with a non-essential metal ion

Barceló-Oliver, M.; Estarellas, C.; Terrón, A.; García-Raso, A.; Frontera, A.
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.
DABCO‐Directed Self‐Assembly of Bisporphyrins (DABCO=1,4‐Diazabicyclo[2.2.2]octane)

Ballester, P.; Costa, A.; Castilla A.M.; Deyà, P.M.; Gomila R.M.; Frontera, A.; Hunter, C.A.
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.
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.
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.
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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