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Browsing by Author Del Bene, Janet E.

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RightsPreviewIssue DateTitleAuthor(s)Type
closedAccessaccesoRestringido.pdf.jpg200819F-19F and 19F-1H spin-spin coupling constants in cyclic FH polymers (FH)n, n=2-6Del Bene, Janet E.; Elguero, José artículo
closedAccessaccesoRestringido.pdf.jpg201131P-31P spin-spin coupling constants for pnicogen homodimersDel Bene, Janet E.; Alkorta, Ibon ; Sánchez-Sanz, Goar; Elguero, José artículo
closedAccessaccesoRestringido.pdf.jpg2008A systematic comparison of second-order polarization propagator approximation (SOPPA) and equation-of-motion coupled cluster singles and doubles (EOM#CCSD) spin#spin coupling constants for selected singly bonded molecules, and the hydrides NH, HO, and HF and their protonated and deprotonated ions and hydrogen-bonded complexesDel Bene, Janet E.; Alkorta, Ibon ; Elguero, José artículo
closedAccessaccesoRestringido.pdf.jpg2009A 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 constantsDel Bene, Janet E.; Alkorta, Ibon ; Elguero, José artículo
closedAccessaccesoRestringido.pdf.jpg2005A theoretical investigation of N-H⋯OP hydrogen bonds through 15N-31P and 1H-31P coupling constantsAlkorta, Ibon ; Elguero, José ; Del Bene, Janet E.artículo
closedAccessaccesoRestringido.pdf.jpg2009A theoretical study of diborenes HLB=BLH for L=CO, NH3, OH2, PH3, SH2, ClH: Structures, energies, and spin-spin coupling constantsAlkorta, Ibon ; Del Bene, Janet E.; Elguero, José ; Mó, O.; Yáñez, M.artículo
closedAccessaccesoRestringido.pdf.jpg2008Ab 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)2Del Bene, Janet E.; Alkorta, Ibon ; Elguero, José artículo
closedAccessaccesoRestringido.pdf.jpg2005Ab initio study of complexes with two cations as N-H donors to F -: Structures and spin-spin coupling constants across N-H-F hydrogen bondsDel Bene, Janet E.; Elguero, José artículo
closedAccessaccesoRestringido.pdf.jpg2013Ab 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 bondsDel Bene, Janet E.; Alkorta, Ibon ; Sánchez-Sanz, Goar; Elguero, José artículo
closedAccessaccesoRestringido.pdf.jpg2006Ab initio study of hydrogen bonding and proton transfer in 3:1 FH:NH 3 and FH: Collidine complexes: Structures and one- and two-bond coupling constants across hydrogen bondsDel Bene, Janet E.; Elguero, José artículo
closedAccessaccesoRestringido.pdf.jpg2010Ab initio study of nonadditivity effects: Spin-spin coupling constants for tetrafluoroethene in ternary π complexesDel Bene, Janet E.; Alkorta, Ibon ; Elguero, José artículo
closedAccessaccesoRestringido.pdf.jpg2010Ab initio study of ternary complexes A⋯NCH⋯C with A,C = HCN, HF, HCl, ClF, and LiH: Energetics and spin-spin coupling constants across intermolecular bondsDel Bene, Janet E.; Alkorta, Ibon ; Elguero, José artículo
closedAccessaccesoRestringido.pdf.jpg2011Ab 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 bondsDel Bene, Janet E.; Alkorta, Ibon ; Elguero, José artículo
closedAccessaccesoRestringido.pdf.jpg2005Ab 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, 31PDel Bene, Janet E.; Elguero, José ; Alkorta, Ibon ; Mó, O.; Yáñez, M.artículo
closedAccessaccesoRestringido.pdf.jpg2010An ab initio investigation of the properties of H2:HX hydrogen-bonded complexesAlkorta, Ibon ; Elguero, José ; Del Bene, Janet E.artículo
closedAccessaccesoRestringido.pdf.jpg2011An 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 bondsDel Bene, Janet E.; Alkorta, Ibon ; Elguero, José artículo
closedAccessaccesoRestringido.pdf.jpg2009An ab initio study of the structures and selected properties of 1,2-dihydro-1,2-azaborine and related moleculesDel Bene, Janet E.; Yáez, M.; Alkorta, Ibon ; Elguero, José artículo
closedAccessaccesoRestringido.pdf.jpg2016Anionic complexes of F- and Cl- with substituted methanes: Hydrogen, halogen, and tetrel bondsDel Bene, Janet E.; Alkorta, Ibon ; Elguero, José artículo
closedAccessaccesoRestringido.pdf.jpg2007Attacking boron nucleophiles: NMR properties of five-membered diazaborole ringsDel Bene, Janet E.; Elguero, José ; Alkorta, Ibon ; Yáñez, M.; Mó, O.artículo
openAccessazinebond.pdf.jpg2017Azines as electron-pair donors to CO2 for N···C tetrel bondsAlkorta, Ibon ; Elguero, José ; Del Bene, Janet E.artículo