Mostrando resultados 25 a 43 de 43
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Derechos | Preview | Fecha Public. | Título | Autor(es) | Tipo |
openAccess | | 2022 | Malonaldehyde-like Systems: BeF2 Clusters—A Subtle Balance between Hydrogen Bonds, Beryllium Bonds, and Resonance | Montero-Campillo, M. Merced CSIC ORCID; Mó, Otilia CSIC ORCID; Yáñez, Manuel | artículo |
closedAccess | | 2019 | Modulating the intrinsic reactivity of molecules through non-covalent interactions | Montero-Campillo, M. Merced CSIC ORCID; Brea, Oriana; Mó, Otilia CSIC ORCID; Alkorta, Ibon CSIC ORCID ; Elguero, José CSIC ORCID; Yáñez, Manuel | artículo |
closedAccess | | 2017 | Modulating the proton affinity of silanol and siloxane derivatives by tetrel bonds | Martín-Fernández, Carlos CSIC ORCID; Montero-Campillo, M. Merced CSIC ORCID; Alkorta, Ibon CSIC ORCID ; Elguero, José CSIC ORCID | artículo |
closedAccess | | 2020 | Mutual Influence of Pnicogen Bonds and Beryllium Bonds: Energies and Structures in the Spotlight | Alkorta, Ibon CSIC ORCID ; Elguero, José CSIC ORCID; Del Bene, Janet E.; Mó, Otilia CSIC ORCID; Montero-Campillo, M. Merced CSIC ORCID; Yáñez, M. | artículo |
openAccess | | 2023 | On predicting bonding patterns of small clusters of alkaline-earth (Be, Mg) and triel (B, Al) fluorides: a balance between atomic size and electron-deficient character | Montero-Campillo, M. Merced CSIC ORCID; Alkorta, Ibon CSIC ORCID ; Mó, Otilia CSIC ORCID; Elguero, José CSIC ORCID; Yañez, Manuel | artículo |
closedAccess | | 24-ago-2022 | Open questions on toxic heavy metals Cd, Hg and Pb binding small components of DNA and nucleobases. Are there any predictable trends? | Pérez-Barcia, Álvaro; Montero-Campillo, M. Merced CSIC ORCID; Lamsabhi, A. M.; Salpin, Jean‐Yves; Yáñez, Manuel | artículo de revisión |
openAccess | | 2019 | Relativistic effects on NMR parameters of halogen-bonded complexes | Alkorta, Ibon CSIC ORCID ; Elguero, José CSIC ORCID; Yañez, Manuel; Mó, Otilia CSIC ORCID; Montero-Campillo, M. Merced CSIC ORCID | artículo |
closedAccess | | 2018 | Remote modulation of singlet–triplet gaps in carbenes | Alkorta, Ibon CSIC ORCID ; Montero-Campillo, M. Merced CSIC ORCID; Elguero, José CSIC ORCID | artículo |
closedAccess | | 2014 | Some interesting features of non-covalent interactions | Martín-Sómer, Ana; Montero-Campillo, M. Merced CSIC ORCID; Mó, Otilia CSIC ORCID; Yáñez, Manuel; Alkorta, Ibon CSIC ORCID ; Elguero, José CSIC ORCID | artículo |
closedAccess | | 2021 | Spontaneous bond dissociation cascades induced by Benclusters (n= 2,4) | Vos, E.; Corral, I.; Montero-Campillo, M. Merced CSIC ORCID; Mó, Otilia CSIC ORCID; Elguero, José CSIC ORCID; Alkorta, Ibon CSIC ORCID ; Yañez, Manuel | artículo |
openAccess | | mar-2022 | Standup for Electrostatics:The DisiloxaneCase | Martín-Fernández, Carlos CSIC ORCID; Alkorta, Ibon CSIC ORCID; Montero-Campillo, M. Merced CSIC ORCID; Elguero, José CSIC ORCID | artículo |
closedAccess | | 2020 | Steric clash in real space: biphenyl revisited | Laplaza, Ruben; Boto, Roberto A. CSIC ORCID; Contreras-García, Julia; Montero-Campillo, M. Merced CSIC ORCID | artículo |
closedAccess | | 2019 | Ternary Complexes Stabilized by Chalcogen and Alkaline-Earth Bonds: Crucial Role of Cooperativity and Secondary Noncovalent Interactions | Mó, Otilia CSIC ORCID; Montero-Campillo, M. Merced CSIC ORCID; Alkorta, Ibon CSIC ORCID ; Elguero, José CSIC ORCID; Yáñez, M. | artículo |
openAccess | | 11-dic-2020 | The Importance of Strain (Preorganization) in Beryllium Bonds | Alkorta, Ibon CSIC ORCID ; Elguero, José CSIC ORCID; Oliva, José M. CSIC ORCID; Yáñez, Manuel; Mó, Otilia CSIC ORCID; Montero-Campillo, M. Merced CSIC ORCID | artículo |
closedAccess | | 2017 | Trapping CO2 by Adduct Formation with Nitrogen Heterocyclic Carbenes (NHCs): A Theoretical Study | Alkorta, Ibon CSIC ORCID ; Montero-Campillo, M. Merced CSIC ORCID; Elguero, José CSIC ORCID | artículo |
closedAccess | | 2018 | Trapping One Electron between Three Beryllium Atoms: Very Strong One-Electron Three-Center Bonds | Alkorta, Ibon CSIC ORCID ; Montero-Campillo, M. Merced CSIC ORCID; Elguero, José CSIC ORCID; Yañez, Manuel; Mó, Otilia CSIC ORCID | artículo |
closedAccess | | 2018 | Using protonation to change a Cl⋯N halogen bond in N-Base:ClOH complexes to a Cl⋯O halogen bond | Del Bene, Janet E.; Alkorta, Ibon CSIC ORCID ; Montero-Campillo, M. Merced CSIC ORCID; Elguero, José CSIC ORCID | artículo |
closedAccess | | 2018 | Weak interactions and cooperativity effects on disiloxane: a look at the building block of silicones | Martín-Fernández, Carlos CSIC ORCID; Montero-Campillo, M. Merced CSIC ORCID; Alkorta, Ibon CSIC ORCID ; Elguero, José CSIC ORCID | artículo |
closedAccess | | 2019 | Weak interactions get strong: synergy between tetrel and alkaline-earth bonds | Alkorta, Ibon CSIC ORCID ; Montero-Campillo, M. Merced CSIC ORCID; Mó, Otilia CSIC ORCID; Elguero, José CSIC ORCID; Yañez, Manuel | artículo |