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| | Derechos | Preview | Fecha Public. | Título | Autor(es) | Tipo |
| 1 | closedAccess |  | 2013 | Ab initio study of cooperative effects in complexes X:HBO:Z, with X, Z=LiH, HNC, HF, HCN, HCl, ClF, and HBO: Structures, binding energies, and spin-spin coupling constants across intermolecular bonds | Del Bene, Janet E.; Alkorta, Ibon CSIC ORCID ; Sánchez-Sanz, Goar CSIC ORCID; Elguero, José CSIC ORCID | artículo |
| 2 | closedAccess |  | 2013 | Pnicogen-bonded cyclic trimers (PH2X)3 with X = F, Cl, OH, NC, CN, CH3, H, and BH2 | Alkorta, Ibon CSIC ORCID ; Elguero, José CSIC ORCID; Del Bene, Janet E. | artículo |
| 3 | 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 |
| 4 | 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 |
| 5 | closedAccess |  | 2011 | The boron-boron single bond in diborane(4) as a non-classical electron donor for hydrogen bonding | Alkorta, Ibon CSIC ORCID ; Soteras, Ignacio CSIC ORCID; Elguero, José CSIC ORCID; Del Bene, Janet E. | artículo |
| 6 | closedAccess |  | 2005 | Ab initio study of complexes with two cations as N-H donors to F -: Structures and spin-spin coupling constants across N-H-F hydrogen bonds | Del Bene, Janet E.; Elguero, José CSIC ORCID | artículo |
| 7 | 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 |
| 8 | closedAccess |  | 2007 | Unusual substituent effects on the bonding of iminoboranes | Mó, Otilia CSIC ORCID; Yáñez, M.; Martín Pendás, A.; Del Bene, Janet E.; Alkorta, Ibon CSIC ORCID ; Elguero, José CSIC ORCID | artículo |
| 9 | 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 |
| 10 | 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 |
| 11 | closedAccess |  | 2014 | Pnicogen-bonded complexes HnF5-nP:N-base, for n = 0-5 | Del Bene, Janet E.; Alkorta, Ibon CSIC ORCID ; Elguero, José CSIC ORCID | artículo |
| 12 | 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 |
| 13 | 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 |
| 14 | closedAccess |  | 2007 | HC=P and H3C-C=P as proton acceptors in protonated complexes containing two phosphorus bases: structures, binding energies, and spin-spin coupling constants | Alkorta, Ibon CSIC ORCID ; Elguero, José CSIC ORCID; Del Bene, Janet E. | artículo |
| 15 | 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 |
| 16 | closedAccess |  | 2017 | Halogen bonding with carbene bases | Del Bene, Janet E.; Alkorta, Ibon CSIC ORCID ; Elguero, José CSIC ORCID | artículo |
| 17 | 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 |
| 18 | closedAccess |  | 2017 | Carbon-Carbon Bonding between Nitrogen Heterocyclic Carbenes and CO2 | Del Bene, Janet E.; Alkorta, Ibon CSIC ORCID ; Elguero, José CSIC ORCID | artículo |
| 19 | 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 |
| 20 | 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 |
| 21 | 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 |
| 22 | 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 |
| 23 | 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 |
| 24 | 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 |
| 25 | closedAccess |  | 2009 | An ab initio study of the structures and selected properties of 1,2-dihydro-1,2-azaborine and related molecules | Del Bene, Janet E.; Yáez, M.; Alkorta, Ibon CSIC ORCID ; Elguero, José CSIC ORCID | artículo |
| 26 | 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 |
| 27 | 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 |
| 28 | 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 |
| 29 | closedAccess |  | 2009 | Characterizing complexes with F-li⋯N, H-Li⋯N, and CH 3Li⋯N lithium bonds: Structures, binding Energies, and spin - spin coupling constants | Del Bene, Janet E.; Alkorta, Ibon CSIC ORCID ; Elguero, José CSIC ORCID | artículo |
| 30 | 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 |
| 31 | closedAccess |  | 2008 | Spin-spin coupling constants for water polymers and hydronium ion complexes with water | Del Bene, Janet E.; Elguero, José CSIC ORCID | artículo |
| 32 | 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 |
| 33 | closedAccess |  | 2019 | Potential Energy Surfaces of HN(CH)SX:CO2 for X = F, Cl, NC, CN, CCH, and H: N···C Tetrel Bonds and O···S Chalcogen Bonds | Del Bene, Janet E.; Alkorta, Ibon CSIC ORCID ; Elguero, José CSIC ORCID | artículo |
| 34 | closedAccess |  | 2019 | What Types of Noncovalent Bonds Stabilize Dimers (XCP)2, for X = CN, Cl, F, and H? | Del Bene, Janet E.; Alkorta, Ibon CSIC ORCID ; Elguero, José CSIC ORCID | artículo |
| 35 | closedAccess |  | 2008 | Structures, bonding, and one-bond B-N and B-H spin-spin coupling constants for a series of neutral and anionic five-membered rings containing BN bonds | Yáñez, Manuel; Mó, Otilia CSIC ORCID; Alkorta, Ibon CSIC ORCID ; Del Bene, Janet E. | artículo |
| 36 | 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 |
| 37 | 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 |
| 38 | openAccess |  | 2021 | Microsolvation of the Be-F bond in complexes of BeF2, BeF3–1, and BeF4–2 with nH2O, for n = 1–6 | Del Bene, Janet E.; Elguero, José CSIC ORCID; Alkorta, Ibon CSIC ORCID | artículo |
| 39 | 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 |
| 40 | closedAccess |  | 2010 | Two-, three-, and four-bond N-F spin-spin coupling constants in fluoroazines | Del Bene, Janet E.; Alkorta, Ibon CSIC ORCID ; Elguero, José CSIC ORCID | artículo |
| 41 | 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 |
| 42 | closedAccess | | ene-2010 | Difluorobenzenes revisited: an experimental and theoretical study of spin–spin coupling constants for 1,2-, 1,3-, and 1,4-difluorobenzene | Alkorta, Ibon CSIC ORCID ; Blanco, Fernando CSIC; Del Bene, Janet E.; Elguero, José CSIC ORCID; Hernández-Folgado, Laura CSIC; Jimeno, M. Luisa CSIC ORCID | artículo |
| 43 | closedAccess |  | 2007 | Solvent effects on one-bond B-Li coupling constants in boryllithium compounds | Del Bene, Janet E.; Elguero, José CSIC ORCID | artículo |
| 44 | openAccess |  | 2021 | IR and NMR properties of N-base:PH2F:BeX2 ternary and corresponding binary complexes stabilised by pnicogen and beryllium bonds | Del Bene, Janet E.; Alkorta, Ibon CSIC ORCID ; Elguero, José CSIC ORCID | artículo |
| 45 | closedAccess |  | 2020 | Calculated coupling constants 1J(X–Y) and 1K(X–Y), and fundamental relationships among the reduced coupling constants for molecules HmX–YHn, with X, Y ═ 1H, 7Li, 9Be, 11B, 13C, 15N, 17O, 19F, 31P, 33S, and 35Cl | Elguero, José CSIC ORCID; Alkorta, Ibon CSIC ORCID ; Del Bene, Janet E. | artículo |
| 46 | 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 |
| 47 | 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 |
| 48 | closedAccess |  | 2017 | Borylene as an electron-pair donor for P…B pnicogen bonds | Alkorta, Ibon CSIC ORCID ; Elguero, José CSIC ORCID; Del Bene, Janet E. | artículo |
| 49 | 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 |
| 50 | closedAccess |  | 2006 | Systematic ab initio study of15N-15N and 15N-1H spin-spin coupling constants across N-H +-N hydrogen bonds: Predicting N-N and N-H coupling constants and relating them to hydrogen bond type | Del Bene, Janet E.; Elguero, José CSIC ORCID | artículo |
