Luis Rodríguez‐Santiago

Ground State of the (H₂O)₂⁺ Radical Cation:  DFT versus Post-Hartree−Fock Methods

Mariona Sodupe, Juan Bertrán, Luis Rodríguez‐Santiago et al. · The Journal of Physical Chemistry A · 1998 · 237 citations

Localized Excited State, Engineering, Density Functionals +21

Single versus Double Proton-Transfer Reactions in Watson−Crick Base Pair Radical Cations. A Theoretical Study

Juan Bertrán, António Oliva, Luis Rodríguez‐Santiago et al. · Journal of the American Chemical Society · 1998 · 208 citations

Double Proton-transfer Reactions, Engineering, Biochemistry +14

The Different Nature of Bonding in Cu⁺-Glycine and Cu²⁺-Glycine

J. Bertrán, Luis Rodríguez‐Santiago, Mariona Sodupe · The Journal of Physical Chemistry B · 1999 · 200 citations

Engineering, Theoretical Inorganic Chemistry, Computational Chemistry +17

Coordination of Cu⁺ Ions to Zeolite Frameworks Strongly Enhances Their Ability To Bind NO₂. An ab Initio Density Functional Study

Luis Rodríguez‐Santiago, Marek Sierka, Vicenç Branchadell et al. · Journal of the American Chemical Society · 1998 · 108 citations

Crystal structure of thioflavin-T and its binding to amyloid fibrils: insights at the molecular level

Cristina Rodríguez‐Rodríguez, Albert Rimola, Luis Rodríguez‐Santiago et al. · Chemical Communications · 2010 · 89 citations