| Creating σ‐Holes through the Formation of Beryllium Bonds O Brea, O Mó, M Yáñez, I Alkorta, J Elguero Chemistry–A European Journal 21 (36), 12676-12682, 2015 | 40 | 2015 |
| Exergonic and spontaneous production of radicals through beryllium bonds O Brea, I Alkorta, O Mó, M Yáñez, J Elguero, I Corral Angewandte Chemie 128 (30), 8878-8881, 2016 | 29 | 2016 |
| On the existence of intramolecular one-electron Be–Be bonds O Brea, O Mó, M Yáñez, I Alkorta, J Elguero Chemical Communications 52 (62), 9656-9659, 2016 | 28 | 2016 |
| Behavior of the position–spread tensor in diatomic systems O Brea, M El Khatib, C Angeli, GL Bendazzoli, S Evangelisti, T Leininger Journal of Chemical Theory and Computation 9 (12), 5286-5295, 2013 | 28 | 2013 |
| Beryllium‐Based Anion Sponges: Close Relatives of Proton Sponges O Brea, I Corral, O Mó, M Yáñez, I Alkorta, J Elguero Chemistry–A European Journal 22 (51), 18322-18325, 2016 | 26 | 2016 |
| Super Strong Be–Be Bonds: Theoretical Insight into the Electronic Structure of Be–Be Complexes with Radical Ligands O Brea, I Corral The Journal of Physical Chemistry A 122 (8), 2258-2265, 2018 | 23 | 2018 |
| The total position-spread tensor: Spin partition M El Khatib, O Brea, E Fertitta, GL Bendazzoli, S Evangelisti, T Leininger The Journal of chemical physics 142 (9), 2015 | 21 | 2015 |
| Theoretical study of methoxy group influence in the gas‐phase elimination kinetics of methoxyalkyl chlorides O Brea, M Lorono, E Marquez, JR Mora, T Cordova, G Chuchani International Journal of Quantum Chemistry 112 (12), 2504-2514, 2012 | 19 | 2012 |
| Modulating the intrinsic reactivity of molecules through non-covalent interactions MM Montero-Campillo, O Brea, O Mó, I Alkorta, J Elguero, M Yáñez Physical Chemistry Chemical Physics 21 (5), 2222-2233, 2019 | 17 | 2019 |
| Spin delocalization in hydrogen chains described with the spin-partitioned total position-spread tensor M El Khatib, O Brea, E Fertitta, GL Bendazzoli, S Evangelisti, T Leininger, ... Theoretical Chemistry Accounts 134 (3), 1-8, 2015 | 14 | 2015 |
| On the stability of [(uracil) 2-Cu] 2+ complexes in the gas phase. Different pathways for the formation of [(uracil-H)(uracil)-Cu]+ monocations O Brea, M Yáñez, O Mó, AM Lamsabhi Organic & Biomolecular Chemistry 11 (23), 3862-3870, 2013 | 14 | 2013 |
| Recognition of hydrophilic molecules in deep cavitand hosts with water-mediated hydrogen bonds HW Guan, YJ Zhu, J Peters, O Brea, F Himo, J Rebek, Y Yu Chemical Communications 57 (66), 8147-8150, 2021 | 11 | 2021 |
| The spin-partitioned total-position spread tensor: An application to diatomic molecules O Brea, M El Khatib, GL Bendazzoli, S Evangelisti, T Leininger, C Angeli The Journal of Physical Chemistry A 120 (27), 5230-5238, 2016 | 11 | 2016 |
| Mechanism (s) of thermal decomposition of N-Nitrosoamides: A density functional theory study O Brea, H Daver, J Rebek Jr, F Himo Tetrahedron 75 (8), 929-935, 2019 | 10 | 2019 |
| Binding and Assembly of a Benzotriazole Cavitand in Water FU Rahman, R Wang, HB Zhang, O Brea, F Himo, J Rebek Jr, Y Yu Angewandte Chemie 134 (29), e202205534, 2022 | 9 | 2022 |
| Mechanisms of Formation and Rearrangement of Benziodoxole-Based CF3 and SCF3 Transfer Reagents O Brea, KJ Szabo, F Himo The Journal of Organic Chemistry 85 (23), 15577-15585, 2020 | 7 | 2020 |
| Modeling Decomposition of N-Nitrosoamides in a Self-Assembled Capsule O Brea, H Daver, J Rebek Jr, F Himo The Journal of Organic Chemistry 84 (11), 7354-7361, 2019 | 7 | 2019 |
| Are beryllium-containing biphenyl derivatives efficient anion sponges? O Brea, O Mó, M Yáñez, MM Montero-Campillo, I Alkorta, J Elguero Journal of Molecular Modeling 24, 1-11, 2018 | 7 | 2018 |
| Gas-phase reactivity tuned through the interaction with alkaline-earth derivatives MM Montero-Campillo, O Brea, O Mó, I Alkorta, J Elguero, M Yáñez Theoretical Chemistry Accounts 138 (5), 62, 2019 | 5 | 2019 |
| Molecular Modelling of the H2‐Adsorptive Properties of Tetrazolate‐Based Metal−Organic Frameworks: From the Cluster Approach to Periodic Simulations O Brea, A Luna, C Díaz, I Corral ChemPhysChem 19 (11), 1349-1357, 2018 | 5 | 2018 |
Otilia MoUniversidad Autónoma de MadridAdresă de e-mail confirmată pe uam.es