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Oriana Brea
Oriana Brea
Jonhson & Johnson
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Title
Cited by
Cited by
Year
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
412015
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
292016
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
282016
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
282013
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
262016
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
232018
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
222015
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
192012
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
142015
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
142013
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
132019
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
122016
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
102019
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
72022
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
72021
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
72018
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
62019
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
52019
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
52018
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
42020
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Articles 1–20