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| Derechos | Preview | Fecha Public. | Título | Autor(es) | Tipo |
| closedAccess |  | 2010 | Probing 1J(C-F) andnJ(F-F) spin-spin coupling constants for fluoroazines: An Ab initio theoretical investigation | Del Bene, Janet E.; Alkorta, Ibon CSIC ORCID ; Elguero, José CSIC ORCID | artículo |
| closedAccess |  | 2019 | Probing C⋯S chalcogen bonds in complexes SC:SHX, for X=NO2, NC, F, Cl, CN, CCH, and NH2 | Del Bene, Janet E.; Alkorta, Ibon CSIC ORCID ; Elguero, José CSIC ORCID | artículo |
| closedAccess |  | 2007 | Probing P-H+-P hydrogen bonds: Structures, binding energies, and spin-spin coupling constants | Del Bene, Janet E.; Elguero, José CSIC ORCID; Alkorta, Ibon CSIC ORCID | artículo |
| closedAccess |  | 2020 | Probing the structures, binding energies, and spin-spin coupling constants of halogen-bonded Azine:ClF complexes | Del Bene, Janet E.; Alkorta, Ibon CSIC ORCID ; Elguero, José CSIC ORCID | artículo |
| closedAccess |  | 2015 | Properties of Cationic Pnicogen-Bonded Complexes F4–nHnP+:N-Base with F–P···N Linear and n = 0–3 | Bene, J. E. del; Alkorta, Ibon CSIC ORCID ; Elguero, José CSIC ORCID | artículo |
| closedAccess |  | 2013 | Properties of complexes H2C=(X)P:PXH2, for X = F, Cl, OH, CN, NC, CCH, H, CH3, and BH2: P···P pnicogen bonding at σ-Holes and π-holes | Del Bene, Janet E.; Alkorta, Ibon CSIC ORCID ; Elguero, José CSIC ORCID | artículo |
| closedAccess |  | 2008 | Proton transfer in C-halogen pyrazole cyclamers. A theoretical study | Alkorta, Ibon CSIC ORCID ; Blanco, Fernando CSIC; Elguero, José CSIC ORCID | artículo |
| closedAccess |  | 2012 | Prototropic tautomerism of 5-aryloxy-1(2)H-tetrazoles | Alkorta, Ibon CSIC ORCID ; Elguero, José CSIC ORCID | artículo |
| closedAccess |  | 2019 | Prototropic tautomerism of the addition products of N-heterocyclic carbenes to CO2, CS2, and COS | Alkorta, Ibon CSIC ORCID ; Elguero, José CSIC ORCID | artículo |
| closedAccess |  | 2007 | Pyrazolo[1,5-a]pyrimidines. A combined multinuclear magnetic resonance (1H, 13C, 15N, 19F) and DFT approach to their structural assignment | Sanz, David CSIC; Claramunt, Rosa M.; Saini, A.; Kumar, V.; Aggarwal, R.; Singh, S. P.; Alkorta, Ibon CSIC ORCID ; Elguero, José CSIC ORCID | artículo |
| closedAccess |  | 2011 | Pyridinium-N-(2-pyridyl)aminides and related compounds: a theoretical study | Alkorta, Ibon CSIC ORCID ; Elguero, José CSIC ORCID | artículo |
| closedAccess |  | 2015 | P···N pnicogen bonds in cationic complexes of F4P+ and F3HP+ with nitrogen bases | Del Bene, Janet E.; Alkorta, Ibon CSIC ORCID ; Elguero, José CSIC ORCID | artículo |
| closedAccess |  | 2014 | Ramsey terms for two-, three-, and four-bond coupling involving 15N and 17O in hydrogen-bonded and nonhydrogen-bonded systems: Are coupling constants sensitive to RAHBs? | Elguero, José CSIC ORCID; Alkorta, Ibon CSIC ORCID ; Del Bene, Janet E. | artículo |
| closedAccess |  | 2011 | Rates of enantiomerization in axially chiral 2,20-bipyridines with restricted rotation: An ab initio study | Alkorta, Ibon CSIC ORCID ; Elguero, José CSIC ORCID; Roussel, C. | artículo |
| closedAccess |  | 2019 | Reaction of ClF and Cl2 with PH2X: The oxidation of P(III) to P(V) | Alkorta, Ibon CSIC ORCID ; Elguero, José CSIC ORCID; Del Bene, Janet E. | artículo |
| openAccess |  | 2023 | Reactivity of a model of B3P3-doped nanographene with up to three CO2 molecules | Ferrer, Maxime CSIC ORCID; Alkorta, Ibon CSIC ORCID ; Elguero, José CSIC ORCID; Oliva, José M. CSIC ORCID | artículo |
| openAccess |  | 28-jul-2021 | Reactivity of Coinage Metal Hydrides for the Production of H 2 Molecules | Iribarren, Iñigo; Sánchez-Sanz, Goar CSIC ORCID; Elguero, José CSIC ORCID; Alkorta, Ibon CSIC ORCID ; Trujillo, Cristina CSIC ORCID | artículo |
| closedAccess |  | 2006 | Regioselectivity in the formation of norbornene-fused pyrazoles: Preparation of 1-substituted derivatives of 4,5,6,7-tetrahydro-1H-4,7- methanoindazole | Fernández, F.; Caamaño, O.; García, M. D.; Alkorta, Ibon CSIC ORCID ; Elguero, José CSIC ORCID | artículo |
| closedAccess |  | 2012 | Regioselectivity in the intramolecular heck reaction of a series of cyclic sulfonamides: An experimental and computational study | Geoghegan, K.; Evans, P.; Rozas, Isabel; Alkorta, Ibon CSIC ORCID | artículo |
| closedAccess |  | 2020 | Regiospecific synthesis and structural studies of 3,5-dihydro-4h-pyrido[2,3-b][1,4]diazepin-4-ones and comparison with 1,3-dihydro-2h-benzo[b][1,4]diazepin-2-ones | Nuñez Alonso, David; Pérez-Torralba, Marta; Claramunt, Rosa M.; Torralba, M. C.; Delgado-Martínez, Patricia; Alkorta, Ibon CSIC ORCID ; Elguero, José CSIC ORCID; Roussel, Christian | artículo |
