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Derechos | Preview | Fecha Public. | Título | Autor(es) | Tipo |
openAccess | | 2023 | Dispersion, Rehybridization, and Pentacoordination: Keys to Understand Clustering of Boron and Aluminum Hydrides and Halides | Mó, Otilia CSIC ORCID; Montero-Campillo, M. Merced CSIC ORCID; Yañez, Manuel; Alkorta, Ibon CSIC ORCID ; Elguero, José CSIC ORCID | artículo |
openAccess | | may-2022 | Disrupting bonding in azoles through beryllium bonds: Unexpected coordination patterns and acidity enhancement | Montero-Campillo, M. Merced CSIC ORCID; Mó, Otilia CSIC ORCID; Alkorta, Ibon CSIC ORCID; Elguero, José CSIC ORCID; Yáñe, Manuel | artículo |
openAccess | | 2023 | Dramatic effect of the nature of R on the intrinsic acidity and basicity of potential astrochemical R–C≡COH and R–C≡CSH compounds | Mó, Otilia CSIC ORCID; Alkorta, Ibon CSIC ORCID ; Guillemin, Jean-Claude; Yañez, Manuel | artículo |
closedAccess | | 3-nov-1999 | Enthalpies of formation of N-substituted pyrazoles and imidazoles | Mó, Otilia CSIC ORCID; Yáñez, Manuel; Roux, María Victoria CSIC ; Jiménez Sierra, M. Pilar CSIC ; Dávalos, J.Z. CSIC ORCID ; Ribeiro da Silva, Manuel A. V.; Ribeiro da Silva, Maria das Dores M. C.; Matos, M. Agostinha R.; Amaral, L. M. P. F.; Sánchez-Migallón, A.; Cabildo, Pilar; Claramunt, Rosa M.; Elguero, José CSIC ORCID; Liebman, Joel F. | artículo |
closedAccess | | jun-2004 | Experimental thermochemical study of two 2-alkylbenzimidazole isomers (alkyl = propyl and isopropyl) | Ribeiro da Silva, Manuel A. V.; Ribeiro da Silva, Maria das Dores M. C.; Amaral, L. M. P. F.; Jiménez Sierra, M. Pilar CSIC ; Roux, María Victoria CSIC ; Dávalos, J.Z. CSIC ORCID ; Temprado, Manuel CSIC ORCID; Cabildo, Pilar; Claramunt, Rosa M.; Elguero, José CSIC ORCID; Mó, Otilia CSIC ORCID; Yáñez, Manuel | artículo |
closedAccess | | 2016 | Fullerene and corannulene derivatives acting as insulators of Cl- and BeH2 | Marín-Luna, Marta CSIC ORCID; Alkorta, Ibon CSIC ORCID ; Elguero, José CSIC ORCID; Mó, Otilia CSIC ORCID; Yáñez, Manuel | artículo |
closedAccess | | 1992 | Gas-phase basicities of β-lactams and azetidines. Cyclization effects. An experimental and theoretical study | Abboud, José Luis M. CSIC; Cañada, T.; Homan, H.; Notario, Rafael CSIC ORCID; Cativiela, Carlos CSIC ORCID; Díaz de Villegas, María D. CSIC ORCID; Bordeje, M. C.; Mó, Otilia CSIC ORCID; Yáñez, M. | artículo |
closedAccess | | 2019 | Gas-phase reactivity tuned through the interaction with alkaline-earth derivatives | Montero-Campillo, M. Merced CSIC ORCID; Brea, Oriana; Mó, Otilia CSIC ORCID; Alkorta, Ibon CSIC ORCID ; Elguero, José CSIC ORCID; Yáñez, Manuel | artículo |
openAccess | | 2015 | Interplay between beryllium bonds and anion-π interactions in BeR<inf>2</inf>:C<inf>6</inf>X<inf>6</inf>:Y. Complexes (R = H, F and Cl, X = H and F, and y = Cl and Br) | Marín-Luna, Marta CSIC ORCID; Alkorta, Ibon CSIC ORCID ; Elguero, José CSIC ORCID; Mó, Otilia CSIC ORCID; Yáñez, Manuel | artículo |
closedAccess | | 2018 | Intramolecular magnesium bonds in malonaldehyde-like systems: a critical view of the resonance-assisted phenomena | Sanz, Pablo; Montero-Campillo, M. Merced CSIC ORCID; Mó, Otilia CSIC ORCID; Yáñez, Manuel; Alkorta, Ibon CSIC ORCID ; Elguero, José CSIC ORCID | artículo |
closedAccess | | 2018 | Large Proton-Affinity Enhancements Triggered by Noncovalent Interactions | Martín-Fernández, Carlos CSIC ORCID; Montero-Campillo, M. Merced CSIC ORCID; Alkorta, Ibon CSIC ORCID ; Yáñez, Manuel; Mó, Otilia CSIC ORCID; Elguero, José CSIC ORCID | artículo |
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 | | sep-2013 | Modeling interactions between an amino acid and a metal dication: Cysteine-calcium(II) Reactions in the gas phase | Hurtado, Marcela; Monte Caballero, Manuel CSIC; Lamsabhi, A. M.; Yañez, Manuel; Mó, Otilia CSIC ORCID; Salpin, Jean‐Yves | 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 | | 2012 | Modulating the strength of hydrogen bonds through beryllium bonds | Mó, Otilia CSIC ORCID; Yáñez, M.; 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 |
closedAccess | | 2010 | New insights into factors influencing B-N bonding in X:BH 3-nFn and X:BH3-nCln for X=N 2, HCN, LiCN, H2CNH, NF3, NH3 and n=0-3: The importance of deformation | Alkorta, Ibon CSIC ORCID ; Elguero, José CSIC ORCID; Del Bene, Janet E.; Mó, Otilia CSIC ORCID; Yáñez, M. | artículo |
closedAccess | | 2007 | Non-resonance-assisted hydrogen bonding in hydroxymethylene and aminomethylene cyclobutanones and cyclobutenones and their nitrogen counterparts | Sanz, P.; Sanz, P.; Mó, Otilia CSIC ORCID; Yáñez, M.; Elguero, José CSIC ORCID | 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 | | 2005 | Periodic trends in bond dissociation energies. A theoretical study | Mó, Otilia CSIC ORCID; Yañez, Manuel; Eckert-Maksic, M.; Maksic, Z. B.; Alkorta, Ibon CSIC ORCID ; Elguero, José CSIC ORCID | artículo |