Álvaro Cimas

The amorphous silica–liquid water interface studied by<i>ab initio</i>molecular dynamics (AIMD): local organization in global disorder

Álvaro Cimas, Frederik Tielens, Marialore Sulpizi et al. · Journal of Physics Condensed Matter · 2014 · 90 citations

Interface Chemistry, Engineering, Interfacial Phenomenon +15

Free Fructose Is Conformationally Locked

Emilio J. Cocinero, Alberto Lesarri, Patricia Écija et al. · Journal of the American Chemical Society · 2013 · 77 citations

Free Hexoketose, Bioorganic Chemistry, Aldo-keto Reductase +14

Vibrational Spectra of Small Protonated Peptides from Finite Temperature MD Simulations and IRMPD Spectroscopy

Álvaro Cimas, Timothy D. Vaden, Tjalling S. J. A. de Boer et al. · Journal of Chemical Theory and Computation · 2009 · 70 citations

Engineering, Peptide Engineering, Computational Chemistry +18

Gas‐Phase Peptide Structures Unraveled by Far‐IR Spectroscopy: Combining IR‐UV Ion‐Dip Experiments with Born–Oppenheimer Molecular Dynamics Simulations

Sander Jaeqx, Jos Oomens, Álvaro Cimas et al. · Angewandte Chemie International Edition · 2014 · 53 citations

Theoretical study of C_<i>n</i>Cl, C_<i>n</i>Cl⁺, C_<i>n</i>Cl⁻ (<i>n</i>=1–7) clusters

Antonio Largo, Álvaro Cimas, Pilar Redondo et al. · International Journal of Quantum Chemistry · 2001 · 46 citations

Ionization Potential, Cluster Science, Clustering (Nuclear Physics) +14