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| | Derechos | Preview | Fecha Public. | Título | Autor(es) | Tipo |
| 1 | closedAccess |  | 2012 | FCl:PCX complexes: Old and new types of halogen bonds | Alkorta, Ibon CSIC ORCID ; Sanche; Sánchez-Sanz, Goar CSIC ORCID; Elguero, José CSIC ORCID; Del Bene, Janet E. | artículo |
| 2 | closedAccess |  | 2011 | Structures, energies, and spin spin coupling constants of fluoro-substituted 1,3-diborata-2,4-diphosphoniocyclobutanes: Four-member B-P-B-P rings B2P2FnH8-n with n = 0, 1, 2, 4 | Del Bene, Janet E.; Alkorta, Ibon CSIC ORCID ; Elguero, José CSIC ORCID | artículo |
| 3 | closedAccess |  | 2016 | Using (FH)2 and (FH)3 to Bridge the σ-Hole and the Lone Pair at P in Complexes with H2XP, for X=CH3, OH, H, CCH, F, Cl, NC, and CN | Del Bene, Janet E.; Alkorta, Ibon CSIC ORCID ; Elguero, José CSIC ORCID | artículo |
| 4 | openAccess |  | 2017 | Azines as electron-pair donors to CO2 for N···C tetrel bonds | Alkorta, Ibon CSIC ORCID ; Elguero, José CSIC ORCID; Del Bene, Janet E. | artículo |
| 5 | closedAccess |  | 2017 | Halogen bonding with carbene bases | Del Bene, Janet E.; Alkorta, Ibon CSIC ORCID ; Elguero, José CSIC ORCID | artículo |
| 6 | closedAccess |  | 2012 | Variations in the structures and binding energies of binary complexes with HBO | Del Bene, Janet E.; Alkorta, Ibon CSIC ORCID ; Sánchez-Sanz, Goar CSIC ORCID; Elguero, José CSIC ORCID | artículo |
| 7 | 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 |
| 8 | closedAccess |  | 2014 | Pnicogen bonds between X=PH3 (X = O, S, NH, CH2) and phosphorus and nitrogen bases | Alkorta, Ibon CSIC ORCID ; Sánchez-Sanz, Goar CSIC ORCID; Elguero, José CSIC ORCID; Del Bene, Janet E. | artículo |
| 9 | closedAccess |  | 2013 | Exploring (NH2F)2, H2FP:NFH2, and (PH2F)2 potential surfaces: Hydrogen bonds or pnicogen bonds? | Alkorta, Ibon CSIC ORCID ; Sánchez-Sanz, Goar CSIC ORCID; Elguero, José CSIC ORCID; Del Bene, Janet E. | artículo |
| 10 | closedAccess |  | 2010 | Ab initio study of nonadditivity effects: Spin-spin coupling constants for tetrafluoroethene in ternary π complexes | Del Bene, Janet E.; Alkorta, Ibon CSIC ORCID ; Elguero, José CSIC ORCID | artículo |
| 11 | closedAccess |  | 2013 | Pnicogen bonded complexes of PO2X (X = F, Cl) with nitrogen bases | Alkorta, Ibon CSIC ORCID ; Elguero, José CSIC ORCID; Del Bene, Janet E. | artículo |
| 12 | closedAccess |  | 2010 | An ab initio investigation of the properties of H2:HX hydrogen-bonded complexes | Alkorta, Ibon CSIC ORCID ; Elguero, José CSIC ORCID; Del Bene, Janet E. | artículo |
| 13 | closedAccess |  | 2007 | Solvent effects on one-bond B-Li coupling constants in boryllithium compounds | Del Bene, Janet E.; Elguero, José CSIC ORCID | artículo |
| 14 | closedAccess |  | 2014 | Influence of substituent effects on the formation of P⋯Cl pnicogen bonds or halogen bonds | Del Bene, Janet E.; Alkorta, Ibon CSIC ORCID ; Elguero, José CSIC ORCID | artículo |
| 15 | closedAccess |  | 2009 | A theoretical study of diborenes HLB=BLH for L=CO, NH3, OH2, PH3, SH2, ClH: Structures, energies, and spin-spin coupling constants | Alkorta, Ibon CSIC ORCID ; Del Bene, Janet E.; Elguero, José CSIC ORCID; Mó, Otilia CSIC ORCID; Yáñez, M. | artículo |
| 16 | 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 |
| 17 | closedAccess |  | 2021 | 1,2-dihydro-1,3,2-diazaborinine tautomer as an electron-pair donor in hydrogen-bonded complexes | Alkorta, Ibon CSIC ORCID ; Elguero, José CSIC ORCID; Del Bene, Janet E. | artículo |
| 18 | closedAccess |  | 2020 | Complexes H2CO:PXH2 and HCO2H : PXH2 for X=NC, F, Cl, CN, OH, CCH, CH3, and H: Pnicogen Bonds and Hydrogen Bonds | Del Bene, Janet E.; Alkorta, Ibon CSIC ORCID ; Elguero, José CSIC ORCID | artículo |
| 19 | closedAccess |  | 2018 | Hydrogen and Halogen Bonding in Cyclic FH(4- n):FCln Complexes, for n = 0-4 | Del Bene, Janet E.; Alkorta, Ibon CSIC ORCID ; Elguero, José CSIC ORCID | artículo |
| 20 | closedAccess |  | 2007 | Attacking boron nucleophiles: NMR properties of five-membered diazaborole rings | Del Bene, Janet E.; Elguero, José CSIC ORCID; Alkorta, Ibon CSIC ORCID ; Yáñez, M.; Mó, Otilia CSIC ORCID | artículo |
| 21 | closedAccess |  | 2009 | A systematic comparison of second-order polarization propagator approximation and equation-of-motion coupled cluster singles and doubles C - C, C - N, N - N, C - H, and N - H spin - spin coupling constants | Del Bene, Janet E.; Alkorta, Ibon CSIC ORCID ; Elguero, José CSIC ORCID | artículo |
| 22 | openAccess |  | 2015 | Using beryllium bonds to change halogen bonds from traditional to chlorine-shared to ion-pair bonds | Alkorta, Ibon CSIC ORCID ; Elguero, José CSIC ORCID; Mó, Otilia CSIC ORCID; Del Bene, Janet E. | artículo |
| 23 | closedAccess |  | 2011 | Ab initio study of ternary complexes X:(HCNH)+:Z with X, Z = NCH, CNH, FH, ClH, and FCl: Diminutive cooperative effects on structures, binding energies, and spin-spin coupling constants across hydrogen bonds | Del Bene, Janet E.; Alkorta, Ibon CSIC ORCID ; Elguero, José CSIC ORCID | artículo |
| 24 | closedAccess |  | 2008 | 19F-19F and 19F-1H spin-spin coupling constants in cyclic FH polymers (FH)n, n=2-6 | Del Bene, Janet E.; Elguero, José CSIC ORCID | artículo |
| 25 | closedAccess |  | 2009 | Characterizing complexes with F-Li+-F lithium bonds: Structures, binding energies, D spin-spin coupling constants | Del Bene, Janet E.; Alkorta, Ibon CSIC ORCID ; Elguero, José CSIC ORCID | artículo |
| 26 | openAccess |  | 2017 | Lone-Pair Hole on P: P···N Pnicogen Bonds Assisted by Halogen Bonds | Del Bene, Janet E.; Alkorta, Ibon CSIC ORCID ; Elguero, José CSIC ORCID; Sánchez-Sanz, Goar CSIC ORCID | artículo |
| 27 | closedAccess |  | 2021 | 1,2-dihydro-1,3,2-diazaborinine tautomer as an electron-pair donor in hydrogen-bonded complexes | Alkorta, Ibon CSIC ORCID ; Elguero, José CSIC ORCID; Del Bene, Janet E. | artículo |
| 28 | closedAccess |  | 2011 | 31P-31P spin-spin coupling constants for pnicogen homodimers | Del Bene, Janet E.; Alkorta, Ibon CSIC ORCID ; Sánchez-Sanz, Goar CSIC ORCID; Elguero, José CSIC ORCID | artículo |
| 29 | closedAccess |  | 2007 | Probing the proton-transfer coordinate of complexes with F-H⋯P hydrogen bonds using one- And two-bond spin-spin coupling constants | Del Bene, Janet E.; Elguero, José CSIC ORCID | artículo |
| 30 | closedAccess |  | 2012 | Multinuclear NMR characterization of cyanuric Fluoride (2,4,6-Trifluoro-1, 3,5-triazine) | Fresno, Nieves CSIC; Pérez-Fernández, Ruth CSIC ORCID ; Jimeno, M. Luisa CSIC ORCID; Alkorta, Ibon CSIC ORCID ; Sánchez-Sanz, Goar CSIC ORCID; Elguero, José CSIC ORCID; Del Bene, Janet E. | artículo |
| 31 | closedAccess |  | 2007 | Spin-spin coupling constants for iminoboranes RBNH, HBNR, and RBNR and comparisons with corresponding isoelectronic acetylenes RCCH and RCCR, for R = H, CH3, NH2, OH, and F | Del Bene, Janet E.; Elguero, José CSIC ORCID; Alkorta, Ibon CSIC ORCID ; Yáñez, M.; Mó, Otilia CSIC ORCID | artículo |
| 32 | closedAccess |  | 2005 | Ab initio study of the influence of trimer formation on one- And two-bond spin-spin coupling constants across an X-H-Y hydrogen bond: AH:XH:YH3 complexes for A, X =19F, 35Cl and Y =15N, 31P | Del Bene, Janet E.; Elguero, José CSIC ORCID; Alkorta, Ibon CSIC ORCID ; Mó, Otilia CSIC ORCID; Yáñez, M. | artículo |
| 33 | closedAccess |  | 2017 | Hydrogen-bonded complexes with carbenes as electron-pair donors | Del Bene, Janet E.; Alkorta, Ibon CSIC ORCID ; Elguero, José CSIC ORCID | artículo |
| 34 | closedAccess |  | 2008 | Spin-spin coupling across intermolecular F-Cl⋯N halogen bonds | Del Bene, Janet E.; Alkorta, Ibon CSIC ORCID ; Elguero, José CSIC ORCID | artículo |
| 35 | closedAccess |  | 2006 | Substitution and protonation effects on spin-spin coupling constants in prototypical aromatic rings: C6H6, C5H 5N and C5H5P | Del Bene, Janet E.; Elguero, José CSIC ORCID | artículo |
| 36 | closedAccess |  | 2008 | Ab initio EOM-CCSD spin-spin coupling constants for hydrogen-bonded formamide complexes: Bridging complexes with NH3, (NH 3)2, H2O, (H2O)2, FH, and (FH)2 | Del Bene, Janet E.; Alkorta, Ibon CSIC ORCID ; Elguero, José CSIC ORCID | artículo |
| 37 | closedAccess |  | 2019 | Can a Cl−H···F Hydrogen Bond Replace a Cl···F Halogen Bond? H2XP:ClY:ZH versus H2XP:ClY:HZ for Y, Z = F, Cl | Del Bene, Janet E.; Alkorta, Ibon CSIC ORCID ; Elguero, José CSIC ORCID | artículo |
| 38 | closedAccess |  | 2011 | An ab initio study of cooperative effects in ternary complexes X:CNH:Z with X, Z=CNH, FH, ClH, FCl, and HLi: Structures, binding energies, and spin-spin coupling constants across intermolecular bonds | Del Bene, Janet E.; Alkorta, Ibon CSIC ORCID ; Elguero, José CSIC ORCID | artículo |
| 39 | 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 |
| 40 | openAccess |  | 2021 | Perturbing the O–H . . . O Hydrogen Bond in 1-oxo-3-hydroxy-2-propene | Alkorta, Ibon CSIC ORCID ; Elguero, José CSIC ORCID; Del Bene, Janet E. | artículo |
| 41 | closedAccess |  | 2010 | Do traditional, chlorine-shared, and ion-pair halogen bonds exist? An ab initio investigation of FCl:CNX complexes | Del Bene, Janet E.; Alkorta, Ibon CSIC ORCID ; Elguero, José CSIC ORCID | artículo |
| 42 | closedAccess |  | 2013 | Phosphorus as a simultaneous electron-pair acceptor in intermolecular P⋯N pnicogen bonds and electron-pair donor to lewis acids | Del Bene, Janet E.; Alkorta, Ibon CSIC ORCID ; Sánchez-Sanz, Goar CSIC ORCID; Elguero, José CSIC ORCID | artículo |
| 43 | 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 |
| 44 | closedAccess |  | 2011 | Structures, energies, bonding, and NMR properties of pnicogen complexes H2XP:NXH2 (X ≥ H, CH3, NH2, OH, F, Cl) | Del Bene, Janet E.; Alkorta, Ibon CSIC ORCID ; Sánchez-Sanz, Goar CSIC ORCID; Elguero, José CSIC ORCID | artículo |
| 45 | openAccess |  | 2017 | Halogen bonding involving CO and CS with carbon as the electron donor | Del Bene, Janet E.; Alkorta, Ibon CSIC ORCID ; Elguero, José CSIC ORCID | artículo |
| 46 | closedAccess |  | 2017 | Carbon-Carbon Bonding between Nitrogen Heterocyclic Carbenes and CO2 | Del Bene, Janet E.; Alkorta, Ibon CSIC ORCID ; Elguero, José CSIC ORCID | artículo |
| 47 | openAccess |  | 2016 | H2XP:OH2 Complexes: Hydrogen vs. pnicogen bonds | Alkorta, Ibon CSIC ORCID ; Del Bene, Janet E.; Elguero, José CSIC ORCID | artículo |
| 48 | closedAccess |  | 2016 | Anionic complexes of F- and Cl- with substituted methanes: Hydrogen, halogen, and tetrel bonds | Del Bene, Janet E.; Alkorta, Ibon CSIC ORCID ; Elguero, José CSIC ORCID | artículo |
| 49 | closedAccess |  | 2018 | Complexes of O=C=S with Nitrogen Bases: Chalcogen Bonds, Tetrel Bonds, and Other Secondary Interactions | Alkorta, Ibon CSIC ORCID ; Elguero, José CSIC ORCID; Del Bene, Janet E. | artículo |
| 50 | 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 |
