| Restricted access to a conical intersection to explain aggregation induced emission in dimethyl tetraphenylsilole XL Peng, S Ruiz-Barragan, ZS Li, QS Li, L Blancafort Journal of Materials Chemistry C 4 (14), 2802-2810, 2016 | 160 | 2016 |
| Nanoconfined water within graphene slit pores adopts distinct confinement-dependent regimes S Ruiz-Barragan, D Munoz-Santiburcio, D Marx The journal of physical chemistry letters 10 (3), 329-334, 2018 | 69 | 2018 |
| Quantifying anisotropic dielectric response properties of nanoconfined water within graphene slit pores S Ruiz-Barragan, D Muñoz-Santiburcio, S Körning, D Marx Physical Chemistry Chemical Physics 22 (19), 10833-10837, 2020 | 46 | 2020 |
| Conical intersection optimization using composed steps inside the ONIOM (QM: MM) scheme: CASSCF: UFF implementation with microiterations S Ruiz-Barragan, K Morokuma, L Blancafort Journal of Chemical Theory and Computation 11 (4), 1585-1594, 2015 | 35 | 2015 |
| Conical intersection optimization based on a double Newton–Raphson algorithm using composed steps S Ruiz-Barragan, MA Robb, L Blancafort Journal of chemical theory and computation 9 (3), 1433-1442, 2013 | 24 | 2013 |
| C–H Bonds as Functional Groups: Simultaneous Generation of Multiple Stereocenters by Enantioselective Hydroxylation at Unactivated Tertiary C–H Bonds A Palone, G Casadevall, S Ruiz-Barragan, A Call, S Osuna, M Bietti, ... Journal of the American Chemical Society 145 (29), 15742-15753, 2023 | 23 | 2023 |
| Nanoconfinement effects on water in narrow graphene-based slit pores as revealed by THz spectroscopy S Ruiz-Barragan, F Sebastiani, P Schienbein, J Abraham, G Schwaab, ... Physical Chemistry Chemical Physics 24 (40), 24734-24747, 2022 | 19 | 2022 |
| On the hierarchical parallelization of ab initio simulations S Ruiz-Barragan, K Ishimura, M Shiga Chemical Physics Letters 646, 130-135, 2016 | 19 | 2016 |
| Photophysics of fulvene under the non-resonant stark effect. Shaping the conical intersection seam S Ruiz-Barragan, L Blancafort Faraday Discussions 163, 497-512, 2013 | 19 | 2013 |
| The excited-state structure, vibrations, lifetimes, and nonradiative dynamics of jet-cooled 1-methylcytosine MA Trachsel, T Wiedmer, S Blaser, HM Frey, Q Li, S Ruiz-Barragan, ... The Journal of chemical physics 145 (13), 2016 | 18 | 2016 |
| The reaction mechanism of polyalcohol dehydration in hot pressurized water S Ruiz-Barragan, JR Ariño, M Shiga Physical Chemistry Chemical Physics 18 (47), 32438-32447, 2016 | 11 | 2016 |
| Refined metadynamics through canonical sampling using time‐invariant bias potential: A study of polyalcohol dehydration in hot acidic solutions T Kondo, T Sasaki, S Ruiz‐Barragan, J Ribas‐Ariño, M Shiga Journal of Computational Chemistry 42 (3), 156-165, 2021 | 8 | 2021 |
| A screened automated structural search with semiempirical methods Y Ota, S Ruiz-Barragan, M Machida, M Shiga Chemical Physics Letters 648, 119-123, 2016 | 6 | 2016 |
| Deciphering the properties of nanoconfined aqueous solutions by vibrational sum frequency generation spectroscopy B Das, S Ruiz-Barragan, D Marx The journal of physical chemistry letters 14 (5), 1208-1213, 2023 | 4 | 2023 |
| Anisotropic pressure effects on nanoconfined water within narrow graphene slit pores S Ruiz-Barragan, H Forbert, D Marx Physical Chemistry Chemical Physics 25 (41), 28119-28129, 2023 | 4 | 2023 |
| Controlling Monoterpene Isomerization by Guiding Challenging Carbocation Rearrangement Reactions in Engineered Squalene‐Hopene Cyclases J Ludwig, C Curado‐Carballada, SC Hammer, A Schneider, S Diether, ... Angewandte Chemie International Edition 63 (12), e202318913, 2024 | 2 | 2024 |
| Topological Frustration Triggers Ultrafast Dynamics of Monolayer Water Confined in Graphene Slit Pores B Das, S Ruiz-Barragan, B Bagchi, D Marx Nano letters 24 (49), 15623-15628, 2024 | | 2024 |
| Modelling of potential energy surfaces for photochemistry: conical intersections and application to optical control S Ruiz-Barragán Universitat de Girona, 2014 | | 2014 |
Lluís BlancafortInstitute of Computational Chemistry and Department of Chemistry, University of Girona (UdG)Verified email at udg.edu