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Publications

2014

Small and Efficient Basis Sets for the Evaluation of Accurate Interaction Energies: Aromatic Molecule-Argon Ground-State Intermolecular Potentials and Rovibrational States
H. Cybulski , A. Baranowska-Laczkowska , C. Henriksen , B. Fernandez

Single-Nucleotide-Resolution DNA Differentiation by Pattern Generation in Lipid Bilayer Membranes
J.M. Priegue, J. Montenegro, J.R. Granja

Catalytic Transformations of Alkynes via Ruthenium Vinylidene and Allenylidene Intermediates
J.A. Varela, C. González Rodríguez, C. Saá

Effect of stepwise microhydration on the guanidinium···π interaction
A.A. Rodríguez Sanz, E.M. Cabaleiro Lago, J. Rodríguez Otero

Interaction between the guanidinium cation and aromatic amino acids
A.A. rodríguez Sanz, E.M. Cabaleiro Lago, J. Rodríguez otero

Multidimensional Hamiltonian for tunneling with position-dependent mass
A. Fernández Ramos, Z. Smedarchina, W. Siebrand

Interaction Between Ions and Substituted Buckybowls: A Comprehensive Computational Study
A. Campo Cacharrón, E.M. Cabaleiro Lago, J. Rodríguez Otero

Interaction of Anions with Substituted Buckybowls. The Anion’s Nature and Solvent Effects
A. Campo Cacharrón, E.M. CAbaleiro Lago, I. González Veloso, J. Rodríguez Otero

Interaction of aromatic units of amino acids with guanidinium cation: The interplay of π···π, X [[BOND]] H···π, and M+···π contacts
A. Campo Cacharrón, E.M. Cabaleiro Lago, J.A. Carrazana García, J. Rodríguez Otero

Ring-annelated corannulenes as fullerene receptors. A DFT-D study
D. Josa, L. Azavedo dos Santos, I. González Veloso, J. Rodríguez Otero, E.M. Cabaleiro Lago, T de Castro Ramalho