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Kinetics and mechanism of the oxidation of hydroxylamine by a {Mn(3)O(4)}(4+) core in aqueous acidic media

Mandal, P.C.; Chakraborty, M.; Das, S.; Estarellas, C.; Quiñonero, D.; Frontera, A.; Mukhopadhyay, S.
Synthesis and crystal structures of mu-oxido- and mu-hydroxido-bridged dinuclear iron(III) complexes with an N2O donor ligand - a theoretical study on the influence of weak forces on the Fe-O-Fe bridging angle

Biswas, R.; Drew, M.G.B.; Estarellas, C.; Frontera, A.; Ghosh, A.
Theoretical Study on Cooperativity Effects between Anion-pi and Halogen-Bonding Interactions

Estarellas, C.; Frontera, A.; Quiñonero, D.; Deya, P.M.
Putting Anion-pi Interactions Into Perspective

Frontera, A.; Gamez, P.; Mascal, M.; Mooibroek, T.J.; Reedijk, J.
Theoretical ab initio study of substituted benzene trimer: Interplay between hydrogen bonding and π-π interactions

Estarellas, C.; Frontera, A.; Quiñonero, D.; Deyà, P.M.
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.
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.
Complexes of Zn(II) with N-Imidazolyl and -pyrazolyl pyrimidine Donor Ligands: Synthesis, Crystal Structure and Theoretical Study

Cañellas, P.; Torres, M.; Bauzá, A.; Cánaves, M.; Sánchez, K.; Cabra, M.I.; García-Raso, A.; Fiol, J.J.; Deyà, P.M.; Molins, E.; Mata, I.; Frontera, A.

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