Showing results 1 to 20 of 41
next >
| Rights | Preview | Issue Date | Title | Author(s) | Type |
| openAccess |  | 2011 | A distance-dependent parameterization of the extended Hubbard model for conjugated and aromatic hydrocarbons derived from stretched ethene | Schmalz, Thomas G.; Serrano-Andrés, Luis; Sauri, Vicente; Merchán, Manuela; Oliva, José M.  | artículo |
| openAccess |  | 26-Nov-2018 | Ab 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 atmosphere | Sitkiewicz, S.P.; Rivero, Daniel; Oliva, José M. ; Saiz-Lopez, A. ; Roca-Sanjuán, D. | artículo |
| closedAccess |  | 2016 | Ab initio quantum-chemical computations of the electronic states in HgBr2 and IBr: Molecules of interest on the Earth’s atmosphere | Sitkiewicz, S.P.; Oliva, José M. ; Dávalos, J.Z. ; Notario, Rafael ; Saiz-Lopez, A. ; Alcoba, D.R.; Oña, O.B.; Roca-Sanjuán, D. | artículo |
| closedAccess |  | 2014 | Acidities of closo -1-COOH-1,7-C2B10H11 and amino acids based on icosahedral carbaboranes | Dávalos, J.Z. ; González, Javier; Ramos, Rocío; Hnyk, D.; Holub, J.; Santaballa, J.A.; Canle-L., M.; Oliva, José M. | artículo |
| closedAccess |  | 2013 | Anionic oligomerization of Li2[B12H12] and Li[CB11H12]: An experimental and computational study | Dávalos, J.Z. ; González, Javier; Guerrero, Andrés ; Hnyk, D.; Holub, J.; Oliva, José M. | artículo |
| openAccess |  | 2017 | Binary twinned-icosahedral [B21H18]- interacts with cyclodextrins as a precedent for its complexation with other organic motifs | Eyrilmez, 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 |
| openAccess |  | 2013 | Borane 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.R | artículo |
| closedAccess |  | 2015 | Carborane super-nano-tubes | Bhattacharya, D.; Klein, D. J.; Oliva, José M. | artículo |
| closedAccess |  | 2012 | Chain carborane molecules | Rosenfeld, Vladimir R.; Oliva, José M. ; Klein, Douglas J. | artículo |
| openAccess |  | 2020 | Complexes 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 |
| closedAccess |  | 2020 | Complexes between bicyclic boron derivatives and dihydrogen: the importance of strain | Alkorta, Ibon ; Elguero, José ; Oliva, José M. | artículo |
| closedAccess |  | 2017 | Determination of exchange coupling constants in linear polyradicals by means of local spins | Oña, O.B.; Alcoba, D.R.; Torre, A.; Lain, L.; Massaccesi, G.E.; Oliva, José M. | artículo |
| closedAccess |  | 2014 | Determination of heisenberg exchange coupling constants in clusters with magnetic sites: A local spin approach | Alcoba, D.R.; Torre, A.; Lain, L.; Oña, O.B.; Oliva, José M. | artículo |
| closedAccess |  | 2012 | Distinct photophysics of the isomers of B18H22 explained | Londesborough, Michael G. S.; Hnyk, Drahomir; Serrano-Andrés, Luis; Oliva, José M. ; Lang, Kamil | artículo |
| embargoedAccess |  | 7-Mar-2020 | Electronic and structural relations between solid CaB6 and the molecular dianion B6H6(2-): A computational study | Oliva, José M. ; Alcoba, Diego R.; Oña, Ofelia B.; Lain, Luís; Torre, Alicia; Jiao, Yang; Ma, Bo; Chen, Z.; Wu, Wei | artículo |
| closedAccess |  | 2012 | Experimental and theoretical investigation of the parabanic acid molecule following VUV excitation and photodissociation | Lago, A.F.; Oliva, José M. ; Dávalos, J.Z. | artículo |
| closedAccess |  | 12-Mar-2020 | Face-Fusion of Icosahedral Boron Hydride Increases Affinity to γ-Cyclodextrin: closo,closo-[B21H18]− as an Anion with Very Low Free Energy of Dehydration | Assaf, 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 |
| closedAccess |  | 2017 | Geometries of 11-Vertex Carborane Monoanion Radicals with 2n+3 Skeletal Electron Counts | Patel, N.C.D.; Oliva, José M. ; Fox, M.A. | artículo |
| closedAccess |  | 26-Jan-2017 | Gold-Carboranes as a Host Structure | Oliva, José M. | póster de congreso |
| openAccess |  | 7-May-2020 | Hydrogen vs. Halogen Bonds in 1-Halo-Closo-Carboranes | Alkorta, Ibon ; Elguero, José ; Oliva, José M. | artículo |
