Mariona Sodupe

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

Realistic Models of Hydroxylated Amorphous Silica Surfaces and MCM‐41 Mesoporous Material Simulated by Large‐scale Periodic B3LYP Calculations

Piero Ugliengo, Mariona Sodupe, Federico Musso et al. · Advanced Materials · 2008 · 231 citations

Small molecule inhibits α-synuclein aggregation, disrupts amyloid fibrils, and prevents degeneration of dopaminergic neurons

Jordi Pujols, Samuel Peña‐Díaz, Diana F. Lázaro et al. · Proceedings of the National Academy of Sciences · 2018 · 224 citations · Full text

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

Design, Selection, and Characterization of Thioflavin-Based Intercalation Compounds with Metal Chelating Properties for Application in Alzheimer’s Disease

Cristina Rodríguez‐Rodríguez, Natalia Sánchez de Groot, Albert Rimola et al. · Journal of the American Chemical Society · 2009 · 205 citations · Full text