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Publications

2011

A MP2 and DFT study of the aromatic character of polyphosphaphospholes. Is the pyramidality the only factor to take into consideration?
D. Josa, A. Peña-Gallego, J. Rodríguez-Otero, E. M. Cabaleiro-Lago

Effect of microhydration on the guanidinium-benzene interaction
E. M. Cabaleiro-Lago, J. Rodríguez-Otero, Á. Peña-Gallego

Computational study of the interaction of indole-like molecules with water and hydrogen sulfide
E. M. Cabaleiro-Lago, J. Rodríguez-Otero, Á. Peña-Gallego

A DFT study of substituent effects in corannulene dimers
D. Josa, J. Rodríguez Otero, E. M. Cabaleiro Lago

DFT Study of the Interaction between Alkaline Cations and Molecular Bowls Derived from Fullerene
J.A. Carrazana-García, J. Rodríguez-Otero, E. M. Cabaleiro-Lago

Chiral Amplification and Helical Sense Tuning by Mono- and Divalent Metals on Dynamic Helical Polymers
Freire, F; Seco, J.M.; Quiñoá, E.; Riguera, R.

A sequentially assembled grid composed of supramolecular meso-helical nodes
Martínez-Calvo, M.; Pedrido, R.; González-Noya, A. M.; Romero, M. J.; Cwiklinska, M.; Zaragoza, G.; Bermejo, Manuel R.

New bases for the evaluation of interaction energies: An ab initio study of the CO--Ne van der Waals complex intermolecular  potential and ro-vibrational spectrum
S. Bouzón Capelo, A. Baranowska, B. Fernández

Enantioselective Gold(I)-Catalyzed Intramolecular (4+3) Cycloadditions of Allenedienes
Alonso, I.; Faustino, H.; López, F.; Mascareñas, J. L.

On a Possible Neutral Charge State for the Catalytic Dyad in β-Secretase When Bound toHydroxyethylene Transition State Analogue Inhibitors
F. Sussman, J.M. Otero, M. C. Villaverde, M. Castro, J. L. Domínguez, L. González-Louro, R. J. Estévez, J. C. Estévez