Oxidation states from wave function analysis E Ramos-Cordoba, V Postils, P Salvador Journal of chemical theory and computation 11 (4), 1501-1508, 2015 | 101 | 2015 |
On the existence and characterization of molecular electrides V Postils, M Garcia-Borràs, M Solà, JM Luis, E Matito Chemical Communications 51 (23), 4865-4868, 2015 | 84* | 2015 |
Iron and Manganese Catalysts for the Selective Functionalization of Arene C(sp2)−H Bonds by Carbene Insertion A Conde, G Sabenya, M Rodríguez, V Postils, JM Luis, MM Díaz‐Requejo, ... Angewandte Chemie International Edition 55 (22), 6530-6534, 2016 | 83 | 2016 |
Reactivity patterns of (protonated) Compound II and Compound I of Cytochrome P450: Which is the better oxidant? XX Li, V Postils, W Sun, AS Faponle, M Solà, Y Wang, W Nam, ... Chemistry–A European Journal 23 (26), 6406-6418, 2017 | 79 | 2017 |
An objective alternative to IUPAC's approach to assign oxidation states V Postils, C Delgado‐Alonso, JM Luis, P Salvador Angewandte Chemie 130 (33), 10685-10689, 2018 | 69 | 2018 |
Mechanism of the selective Fe-catalyzed arene carbon–hydrogen bond functionalization V Postils, M Rodríguez, G Sabenya, A Conde, MM Díaz-Requejo, ... ACS Catalysis 8 (5), 4313-4322, 2018 | 38 | 2018 |
Metal cluster electrides: a new type of molecular electride with delocalised polyattractor character O El Bakouri, V Postils, M Garcia‐Borràs, M Duran, JM Luis, S Calvello, ... Chemistry–A European Journal 24 (39), 9853-9859, 2018 | 33 | 2018 |
Fluoreno [2, 1-a] fluorene: An ortho-naphthoquinodimethane-based system with partial diradical character AS Hacker, M Pavano, JE Wood, H Hashimoto, KM D’Ambrosio, ... Chemical Communications 55 (94), 14186-14189, 2019 | 18 | 2019 |
Quantum mechanics/molecular mechanics studies on the relative reactivities of compound I and II in cytochrome P450 enzymes V Postils, M Saint-André, A Timmins, XX Li, Y Wang, JM Luis, M Solà, ... International journal of molecular sciences 19 (7), 1974, 2018 | 18 | 2018 |
Mild open-shell character of BODIPY and its impact on singlet and triplet excitation energies V Postils, F Ruiperez, D Casanova Journal of Chemical Theory and Computation 17 (9), 5825-5838, 2021 | 16 | 2021 |
The Mechanism of Stereospecific CH Oxidation by Fe(Pytacn) Complexes: Bioinspired Non‐Heme Iron Catalysts Containing cis‐Labile Exchangeable Sites I Prat, A Company, V Postils, X Ribas, L Que Jr, JM Luis, M Costas Chemistry–A European Journal 19 (21), 6724-6738, 2013 | 16 | 2013 |
Generation of multiple triplet states in an orthogonal bodipy dimer: a breakthrough spectroscopic and theoretical approach I García-Moreno, V Postils, E Rebollar, MJ Ortiz, AR Agarrabeitia, ... Physical Chemistry Chemical Physics 24 (10), 5929-5938, 2022 | 10 | 2022 |
Efficient alkene hydrosilation with bis (8-quinolyl) phosphine (NPN) nickel catalysts. The dominant role of silyl-over hydrido-nickel catalytic intermediates J Yang, V Postils, MI Lipschutz, M Fasulo, C Raynaud, E Clot, ... Chemical science 11 (19), 5043-5051, 2020 | 8 | 2020 |
Computational Insight into the Mechanism of Alkane Hydroxylation by Non-heme Fe (PyTACN) Iron Complexes. Effects of the Substrate and Solvent V Postils, A Company, M Sola, M Costas, JM Luis Inorganic Chemistry 54 (17), 8223-8236, 2015 | 7 | 2015 |
Can aluminum, a non-redox metal, alter the thermodynamics of key biological redox processes? The DPPH-QH2 radical scavenging reaction as a test case J Lanuza, V Postils, X Lopez Free Radical Biology and Medicine 179, 200-207, 2022 | 3 | 2022 |
Second-order nonlinear optical properties of X-shaped pyrazine derivatives V Postils, Z Burešová, D Casanova, B Champagne, F Bureš, V Rodriguez, ... Physical Chemistry Chemical Physics 26 (3), 1709-1721, 2024 | 1 | 2024 |
An Objective Alternative to IUPACQs Approach To Assign Oxidation States V Postils Ribó, C Delgado Alonso, JM Luis Luis, P Salvador Sedano © Angewandte Chemie International Edition, 2018, vol. 57, núm. 33, p. 10525 …, 2018 | | 2018 |
The Mechanism of the Selective Fe-Catalyzed Arene Carbon-Hydrogen Bond Functionalization V Postils Ribó, M Rodríguez Serrat, G Sabeña Vila, A Conde Fernández, ... © ACS Catalysis, 2018, vol. 8, núm. 5, p. 4313-4322, 2018 | | 2018 |
Computational chemistry applied to hydrocarbon functionalization by iron catalysts, oxidation state characterization, and electrides design VP Ribó Universitat de Girona, 2018 | | 2018 |
Iron and Manganese Catalysts for the Selective Functionalization of Arene C (sp2)-H Bonds by Carbene Insertion A Conde Fernández, G Sabeña Vila, M Rodríguez Serrat, V Postils Ribó, ... © Angewandte Chemie International Edition, 2016, vol. 55, núm. 22, p. 6530-6534, 2016 | | 2016 |