| Ground State of the (H2O)2+ Radical Cation: DFT versus Post-Hartree−Fock Methods M Sodupe, J Bertran, L Rodríguez-Santiago, EJ Baerends The Journal of Physical Chemistry A 103 (1), 166-170, 1999 | 271 | 1999 |
| Single versus double proton-transfer reactions in Watson− Crick base pair radical cations. A theoretical study J Bertran, A Oliva, L Rodríguez-Santiago, M Sodupe Journal of the American Chemical Society 120 (32), 8159-8167, 1998 | 236 | 1998 |
| The different nature of bonding in Cu+-glycine and Cu2+-glycine J Bertran, L Rodriguez-Santiago, M Sodupe The Journal of Physical Chemistry B 103 (12), 2310-2317, 1999 | 233 | 1999 |
| Coordination of Cu+ Ions to Zeolite Frameworks Strongly Enhances Their Ability To Bind NO2. An ab Initio Density Functional Study L Rodriguez-Santiago, M Sierka, V Branchadell, M Sodupe, J Sauer Journal of the American Chemical Society 120 (7), 1545-1551, 1998 | 118 | 1998 |
| Crystal structure of thioflavin-T and its binding to amyloid fibrils: insights at the molecular level C Rodríguez-Rodríguez, A Rimola, L Rodríguez-Santiago, P Ugliengo, ... Chemical Communications 46 (7), 1156-1158, 2010 | 108 | 2010 |
| Ground and Low-Lying States of Cu2+−H2O. A Difficult Case for Density Functional Methods J Poater, M Sola, A Rimola, L Rodriguez-Santiago, M Sodupe The Journal of Physical Chemistry A 108 (28), 6072-6078, 2004 | 100 | 2004 |
| Differences in the activation processes of phosphine-containing and Grubbs–Hoveyda-type alkene metathesis catalysts F Nunez-Zarur, X Solans-Monfort, L Rodrı́guez-Santiago, M Sodupe Organometallics 31 (11), 4203-4215, 2012 | 99 | 2012 |
| Cation−π Interactions and Oxidative Effects on Cu+ and Cu2+ Binding to Phe, Tyr, Trp, and His Amino Acids in the Gas Phase. Insights from First-Principles … A Rimola, L Rodríguez-Santiago, M Sodupe The Journal of Physical Chemistry B 110 (47), 24189-24199, 2006 | 98 | 2006 |
| Protonation of glycine, serine and cysteine. Conformations, proton affinities and intrinsic basicities M Noguera, L Rodrıguez-Santiago, M Sodupe, J Bertran Journal of Molecular Structure: Theochem 537 (1-3), 307-318, 2001 | 96 | 2001 |
| Three Dimensional Models of Cu2+-Aβ(1–16) Complexes from Computational Approaches J Alí-Torres, JD Maréchal, L Rodríguez-Santiago, M Sodupe Journal of the American Chemical Society 133 (38), 15008-15014, 2011 | 78 | 2011 |
| Gas-Phase Reactivity of Ni+ with Glycine L Rodriguez-Santiago, M Sodupe, J Tortajada The Journal of Physical Chemistry A 105 (22), 5340-5347, 2001 | 77 | 2001 |
| Gas Phase Intramolecular Proton Transfer in Cationized Glycine and Chlorine Substituted Derivatives (M–Gly, M=Na+, Mg2+, Cu+, Ni+, and Cu2+): Existence of … S Pulkkinen, M Noguera, L Rodríguez‐Santiago, M Sodupe, J Bertran Chemistry–A European Journal 6 (23), 4393-4399, 2000 | 76 | 2000 |
| Thioflavin-T excimer formation upon interaction with amyloid fibers R Sabate, L Rodriguez-Santiago, M Sodupe, SJ Saupe, S Ventura Chemical communications 49 (51), 5745-5747, 2013 | 74 | 2013 |
| Computational calculations of p K a values of imidazole in Cu (II) complexes of biological relevance J Alí-Torres, L Rodríguez-Santiago, M Sodupe Physical Chemistry Chemical Physics 13 (17), 7852-7861, 2011 | 70 | 2011 |
| Mechanistic insights into ring‐closing enyne metathesis with the second‐generation Grubbs–Hoveyda catalyst: a DFT study F Nuñez‐Zarur, X Solans‐Monfort, L Rodríguez‐Santiago, R Pleixats, ... Chemistry–A European Journal 17 (27), 7506-7520, 2011 | 69 | 2011 |
| Intramolecular proton transfer in glycine radical cation L Rodriguez-Santiago, M Sodupe, A Oliva, J Bertran The Journal of Physical Chemistry A 104 (6), 1256-1261, 2000 | 64 | 2000 |
| Interaction of Co+ and Co2+ with glycine. A theoretical study E Constantino, L Rodriguez-Santiago, M Sodupe, J Tortajada The Journal of Physical Chemistry A 109 (1), 224-230, 2005 | 62 | 2005 |
| Coordination properties of the oxime analogue of glycine to Cu (II) I Georgieva, N Trendafilova, L Rodríguez-Santiago, M Sodupe The Journal of Physical Chemistry A 109 (25), 5668-5676, 2005 | 60 | 2005 |
| Influence of the side chain in the structure and fragmentation of amino acids radical cations A Gil, S Simon, L Rodríguez-Santiago, J Bertrán, M Sodupe Journal of Chemical Theory and Computation 3 (6), 2210-2220, 2007 | 59 | 2007 |
| Influence of N7 Protonation on the Mechanism of the N-Glycosidic Bond Hydrolysis in 2 ‘-Deoxyguanosine. A Theoretical Study R Rios-Font, L Rodríguez-Santiago, J Bertran, M Sodupe The Journal of Physical Chemistry B 111 (21), 6071-6077, 2007 | 59 | 2007 |
Mariona SodupeUniversitat Autònoma BarcelonaVerifisert e-postadresse på uab.cat