Super Strong Be–Be Bonds: Theoretical Insight into the Electronic Structure of Be–Be Complexes with Radical Ligands
Brea, Oriana, Corral, Inés
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (01.03.2018)
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (01.03.2018)
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Journal Article
On the existence of intramolecular one-electron Be-Be bonds
Brea, Oriana, Mó, Otilia, Yáñez, Manuel, Alkorta, Ibon, Elguero, José
Published in Chemical communications (Cambridge, England) (11.08.2016)
Published in Chemical communications (Cambridge, England) (11.08.2016)
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Journal Article
Modeling Decomposition of N‑Nitrosoamides in a Self-Assembled Capsule
Brea, Oriana, Daver, Henrik, Rebek, Julius, Himo, Fahmi
Published in Journal of organic chemistry (07.06.2019)
Published in Journal of organic chemistry (07.06.2019)
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Journal Article
Creating σ-Holes through the Formation of Beryllium Bonds
Brea, Oriana, Mó, Otilia, Yáñez, Manuel, Alkorta, Ibon, Elguero, José
Published in Chemistry : a European journal (01.09.2015)
Published in Chemistry : a European journal (01.09.2015)
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Journal Article
Binding and Assembly of a Benzotriazole Cavitand in Water
Rahman, Faiz‐Ur, Wang, Rui, Zhang, Hui‐Bin, Brea, Oriana, Himo, Fahmi, Rebek, Julius, Yu, Yang
Published in Angewandte Chemie International Edition (18.07.2022)
Published in Angewandte Chemie International Edition (18.07.2022)
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Journal Article
Exergonic and Spontaneous Production of Radicals through Beryllium Bonds
Brea, Oriana, Alkorta, Ibon, Mó, Otilia, Yáñez, Manuel, Elguero, José, Corral, Inés
Published in Angewandte Chemie (International ed.) (18.07.2016)
Published in Angewandte Chemie (International ed.) (18.07.2016)
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Journal Article
Modulating the intrinsic reactivity of molecules through non-covalent interactionsElectronic supplementary information (ESI) available. See DOI: 10.1039/c8cp06908e
Montero-Campillo, M. Merced, Brea, Oriana, Mó, Otilia, Alkorta, Ibon, Elguero, José, Yáñez, Manuel
Year of Publication 30.01.2019
Year of Publication 30.01.2019
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Journal Article
On the existence of intramolecular one-electron Be-Be bondsElectronic supplementary information (ESI) available: Geometrical details, electron affinities, other energetic data, molecular graphs and ELF plots. See DOI: 10.1039/c6cc04350j
Brea, Oriana, Mó, Otilia, Yáñez, Manuel, Alkorta, Ibon, Elguero, José
Year of Publication 26.07.2016
Year of Publication 26.07.2016
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Journal Article
Development of the Synthetic Route to PF-06878031 Part 1: Selective Alkylation Route
Brea, Oriana, Buck, Julia, Carson, Nessa, Derrick, Andrew M., Fussell, Steven J., Gymer, Adam E. S., Hawksworth, Michael, Hopkins, Adam W., Ingram, Heather, Johnson, Rebecca A., Laity, Daniel A., Mathew, Jinu S., Moses, Ian B., Rellegue, James, Rose, Emily K., Twiddle, Steven J. R., West, Adam
Published in Organic process research & development (19.07.2024)
Published in Organic process research & development (19.07.2024)
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Journal Article
The Spin-Partitioned Total-Position Spread Tensor: An Application To Diatomic Molecules
Brea, Oriana, El Khatib, Muammar, Bendazzoli, Gian Luigi, Evangelisti, Stefano, Leininger, Thierry, Angeli, Celestino
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (14.07.2016)
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (14.07.2016)
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Journal Article
Gas-phase reactivity tuned through the interaction with alkaline-earth derivatives
Montero-Campillo, M. Merced, Brea, Oriana, Mó, Otilia, Alkorta, Ibon, Elguero, José, Yáñez, Manuel
Published in Theoretical chemistry accounts (01.05.2019)
Published in Theoretical chemistry accounts (01.05.2019)
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Journal Article