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Browsing by Author Oliva, José M.

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RightsPreviewIssue DateTitleAuthor(s)Type
openAccessA distance-dependent.pdf.jpg2011A distance-dependent parameterization of the extended Hubbard model for conjugated and aromatic hydrocarbons derived from stretched etheneSchmalz, Thomas G.; Serrano-Andrés, Luis; Sauri, Vicente; Merchán, Manuela; Oliva, José M. artículo
openAccessaccesoRestringido.pdf.jpg26-Nov-2018Ab initio quantum-chemical computations of the absorption cross sections of HgX2 and HgXY (X, y = Cl, Br, and I): Molecules of interest in the Earth's atmosphereSitkiewicz, S.P.; Rivero, Daniel; Oliva, José M. ; Saiz-Lopez, A. ; Roca-Sanjuán, D.artículo
closedAccessaccesoRestringido.pdf.jpg2016Ab initio quantum-chemical computations of the electronic states in HgBr2 and IBr: Molecules of interest on the Earth’s atmosphereSitkiewicz, S.P.; Oliva, José M. ; Dávalos, J.Z. ; Notario, Rafael ; Saiz-Lopez, A. ; Alcoba, D.R.; Oña, O.B.; Roca-Sanjuán, D.artículo
closedAccessaccesoRestringido.pdf.jpg2014Acidities of closo -1-COOH-1,7-C2B10H11 and amino acids based on icosahedral carbaboranesDávalos, J.Z. ; González, Javier; Ramos, Rocío; Hnyk, D.; Holub, J.; Santaballa, J.A.; Canle-L., M.; Oliva, José M. artículo
closedAccessaccesoRestringido.pdf.jpg2013Anionic oligomerization of Li2[B12H12] and Li[CB11H12]: An experimental and computational studyDávalos, J.Z. ; González, Javier; Guerrero, Andrés ; Hnyk, D.; Holub, J.; Oliva, José M. artículo
openAccessc7cp01074e.pdf.jpg2017Binary twinned-icosahedral [B21H18]- interacts with cyclodextrins as a precedent for its complexation with other organic motifsEyrilmez, S. M.; Bernhardt, E.; Dávalos, J.Z. ; Lepšík, M.; Hobza, P.; Assaf, K. I.; Nau, W. M.; Holub, J.; Oliva, José M. ; Fanfrlík, J.; Hnyk, D.artículo
openAccesscca2304.pdf.jpg2013Borane Polyhedra as Building Blocks for Unknown but Potentially Isolatable New Molecules - Extensions based on Computations of the Known B18H22 Isomers.Oliva, José M. ; Rue, J.; Hnyk, D.; Kennedy, J.D.; Rosenfeld, V.Rartículo
closedAccessaccesoRestringido.pdf.jpg2015Carborane super-nano-tubesBhattacharya, D.; Klein, D. J.; Oliva, José M. artículo
closedAccessaccesoRestringido.pdf.jpg2012Chain carborane moleculesRosenfeld, Vladimir R.; Oliva, José M. ; Klein, Douglas J.artículo
openAccessComplexes_Oliva_Art2020.pdf.jpg2020Complexes Between Adamantane Analogues B4X6 -X = {CH2, NH, O ; SiH2, PH, S} - and Dihydrogen, B4X6:nH2 (n = 1–4)Oliva, José M. ; Alkorta, Ibon ; Elguero, José artículo
closedAccessaccesoRestringido.pdf.jpg2020Complexes between bicyclic boron derivatives and dihydrogen: the importance of strainAlkorta, Ibon ; Elguero, José ; Oliva, José M. artículo
closedAccessaccesoRestringido.pdf.jpg2017Determination of exchange coupling constants in linear polyradicals by means of local spinsOña, O.B.; Alcoba, D.R.; Torre, A.; Lain, L.; Massaccesi, G.E.; Oliva, José M. artículo
closedAccessaccesoRestringido.pdf.jpg2014Determination of heisenberg exchange coupling constants in clusters with magnetic sites: A local spin approachAlcoba, D.R.; Torre, A.; Lain, L.; Oña, O.B.; Oliva, José M. artículo
closedAccessaccesoRestringido.pdf.jpg2012Distinct photophysics of the isomers of B18H22 explainedLondesborough, Michael G. S.; Hnyk, Drahomir; Serrano-Andrés, Luis; Oliva, José M. ; Lang, Kamilartículo
embargoedAccessElectronic and Structural.pdf.jpg7-Mar-2020Electronic and structural relations between solid CaB6 and the molecular dianion B6H6(2-): A computational studyOliva, José M. ; Alcoba, Diego R.; Oña, Ofelia B.; Lain, Luís; Torre, Alicia; Jiao, Yang; Ma, Bo; Chen, Z.; Wu, Weiartículo
closedAccessaccesoRestringido.pdf.jpg2012Experimental and theoretical investigation of the parabanic acid molecule following VUV excitation and photodissociationLago, A.F.; Oliva, José M. ; Dávalos, J.Z. artículo
closedAccessaccesoRestringido.pdf.jpg12-Mar-2020Face-Fusion of Icosahedral Boron Hydride Increases Affinity to γ-Cyclodextrin: closo,closo-[B21H18]− as an Anion with Very Low Free Energy of DehydrationAssaf, K. I.; Holub, J.; Bernhardt, E.; Oliva, José M. ; Fernández Pérez, M. I.; Canle, M.; Santaballa, J. A.; Fanfrlík, J.; Hnyk, D.; Nau, W. M.artículo
closedAccessaccesoRestringido.pdf.jpg2017Geometries of 11-Vertex Carborane Monoanion Radicals with 2n+3 Skeletal Electron CountsPatel, N.C.D.; Oliva, José M. ; Fox, M.A.artículo
closedAccessaccesoRestringido.pdf.jpg26-Jan-2017Gold-Carboranes as a Host StructureOliva, José M. póster de congreso
openAccessHydrogen_Alkorta_Art2020.pdf.jpg7-May-2020Hydrogen vs. Halogen Bonds in 1-Halo-Closo-CarboranesAlkorta, Ibon ; Elguero, José ; Oliva, José M. artículo