The origin of efficient triplet state population in sulfur-substituted nucleobases S Mai, M Pollum, L Martínez-Fernández, N Dunn, P Marquetand, I Corral, ... Nature communications 7 (1), 13077, 2016 | 179 | 2016 |
Competing ultrafast intersystem crossing and internal conversion: a time resolved picture for the deactivation of 6-thioguanine L Martinez-Fernandez, I Corral, G Granucci, M Persico Chemical Science 5 (4), 1336-1347, 2014 | 142 | 2014 |
Electronic and structural elements that regulate the excited-state dynamics in purine nucleobase derivatives CE Crespo-Hernández, L Martínez-Fernández, C Rauer, C Reichardt, ... Journal of the American Chemical Society 137 (13), 4368-4381, 2015 | 102 | 2015 |
An ab initio mechanism for efficient population of triplet states in cytotoxic sulfur substituted DNA bases: the case of 6-thioguanine L Martínez-Fernández, L González, I Corral Chemical Communications 48 (15), 2134-2136, 2012 | 86 | 2012 |
Photophysics and photochemistry of canonical nucleobases’ thioanalogs: From quantum mechanical studies to time resolved experiments S Arslancan, L Martínez-Fernández, I Corral Molecules 22 (6), 998, 2017 | 71 | 2017 |
Hybrid-basis close-coupling interface to quantum chemistry packages for the treatment of ionization problems C Marante, M Klinker, I Corral, J González-Vázquez, L Argenti, F Martín Journal of chemical theory and computation 13 (2), 499-514, 2017 | 70 | 2017 |
An Experimental and Theoretical Investigation of Gas‐Phase Reactions of Ca2+ with Glycine I Corral, O Mó, M Yáñez, JY Salpin, J Tortajada, D Moran, L Radom Chemistry–A European Journal 12 (26), 6787-6796, 2006 | 70 | 2006 |
Intermolecular Interactions in Crystals: Fundamentals of Crystal Engineering JJ Novoa Royal Society of Chemistry, 2017 | 65 | 2017 |
Gas-Phase Reactions between Urea and Ca2+: The Importance of Coulomb Explosions I Corral, O Mó, M Yáñez, JY Salpin, J Tortajada, L Radom The Journal of Physical Chemistry A 108 (46), 10080-10088, 2004 | 57 | 2004 |
Decoding the molecular basis for the population mechanism of the triplet phototoxic precursors in UVA light‐activated pyrimidine anticancer drugs L Martínez‐Fernández, G Granucci, M Pollum, CE Crespo‐Hernández, ... Chemistry–A European Journal 23 (11), 2619-2627, 2017 | 54 | 2017 |
An insight into the mechanism of the axial ligand exchange reaction in boron subphthalocyanine macrocycles J Guilleme, L Martinez-Fernandez, D Gonzalez-Rodriguez, I Corral, ... Journal of the American Chemical Society 136 (40), 14289-14298, 2014 | 51 | 2014 |
Interactions between neutral molecules and Ca2+: an assessment of theoretical procedures I Corral, O Mó, M Yáñez, AP Scott, L Radom The Journal of Physical Chemistry A 107 (48), 10456-10461, 2003 | 50 | 2003 |
Electronic States of o-Nitrobenzaldehyde: A Combined Experimental and Theoretical Study V Leyva, I Corral, T Schmierer, B Heinz, F Feixas, A Migani, L Blancafort, ... The Journal of Physical Chemistry A 112 (23), 5046-5053, 2008 | 42 | 2008 |
Agostic vs π-Interactions in Complexes of Ethynylsilanes and Ethynylgermanes with Cu+ in the Gas Phase I Corral, O Mó, M Yáñez The Journal of Physical Chemistry A 107 (9), 1370-1376, 2003 | 40 | 2003 |
Annulated dinuclear metal-free and Zn (II) phthalocyanines: photophysical studies and quantum mechanical calculations C Litwinski, I Corral, EA Ermilov, S Tannert, D Fix, S Makarov, O Suvorova, ... The Journal of Physical Chemistry B 112 (29), 8466-8476, 2008 | 39 | 2008 |
Versatile Bottom‐up Approach to Stapled π‐Conjugated Helical Scaffolds: Synthesis and Chiroptical Properties of Cyclic o‐Phenylene Ethynylene Oligomers N Fuentes, A Martin‐Lasanta, L Alvarez de Cienfuegos, R Robles, ... Angewandte Chemie 124 (52), 13213-13217, 2012 | 38 | 2012 |
Ultrafast irreversible phototautomerization of o-nitrobenzaldehyde A Migani, V Leyva, F Feixas, T Schmierer, P Gilch, I Corral, L González, ... Chemical Communications 47 (22), 6383-6385, 2011 | 38 | 2011 |
The oxidation state in low-valent beryllium and magnesium compounds M Gimferrer, S Danés, E Vos, CB Yildiz, I Corral, A Jana, P Salvador, ... Chemical Science 13 (22), 6583-6591, 2022 | 35 | 2022 |
Direct access to axially substituted subphthalocyanines from trimethylsilyl-protected nucleophiles J Guilleme, L Martinez-Fernandez, I Corral, M Yanez, ... Organic letters 17 (19), 4722-4725, 2015 | 31 | 2015 |
Binding energies of Cu+ to saturated and α, β-unsaturated alkanes, silanes and germanes: The role of agostic interactions I Corral, O Mó, M Yáñez International Journal of Mass Spectrometry 227 (3), 401-412, 2003 | 31 | 2003 |