| Are Methyl Groups Electron-Donating or Electron-Withdrawing in Boron Clusters? Permethylation of o-Carborane F Teixidor, G Barberà, A Vaca, R Kivekäs, R Sillanpää, J Oliva, C Viñas Journal of the American Chemical Society 127 (29), 10158-10159, 2005 | 203 | 2005 |
| Strikingly Long C···C Distances in 1,2-Disubstituted ortho-Carboranes and Their Dianions JM Oliva, NL Allan, PR Schleyer, C Viñas, F Teixidor Journal of the American Chemical Society 127 (39), 13538-13547, 2005 | 188 | 2005 |
| Complexation of stable carbenes with alkali metals RW Alder, ME Blake, C Bortolotti, S Bufali, CP Butts, E Linehan, JM Oliva, ... Chemical Communications, 241-242, 1999 | 171 | 1999 |
| Diaminocarbenes; Calculation of Barriers to Rotation about Ccarbene−N Bonds, Barriers to Dimerization, Proton Affinities, and 13C NMR Shifts RW Alder, ME Blake, JM Oliva The Journal of Physical Chemistry A 103 (50), 11200-11211, 1999 | 149 | 1999 |
| Photoreduction of gaseous oxidized mercury changes global atmospheric mercury speciation, transport and deposition A Saiz-Lopez, SP Sitkiewicz, D Roca-Sanjuán, JM Oliva-Enrich, ... Nature Communications 9 (1), 4796, 2018 | 131 | 2018 |
| Modulation of the C C distance in disubstituted l, 2-R2-o-carboranes. Crystal structure of closo l, 2-(SPh) 2-l, 2-C2B10H10 J Llop, C Viñas, JM Oliva, F Teixidor, MA Flores, R Kivekas, R Sillanpää Journal of organometallic chemistry 657 (1-2), 232-238, 2002 | 101 | 2002 |
| Are halocarboranes suitable for substitution reactions? The case for 3-I-1, 2-closo-C2B10H11: Molecular orbital calculations, aryldehalogenation reactions, 11B NMR … C Viñas, G Barberà, JM Oliva, F Teixidor, AJ Welch, GM Rosair Inorganic chemistry 40 (26), 6555-6562, 2001 | 99 | 2001 |
| Thermochromic Fluorescence from B18H20(NC5H5)2: An Inorganic–Organic Composite Luminescent Compound with an Unusual Molecular Geometry MGS Londesborough, J Dolanský, L Cerdan, K Lang, T Jelínek, JM Oliva, ... Advanced Optical Materials 5 (6), 1600694, 2017 | 57 | 2017 |
| The use of ab initio quantum molecular self‐similarity measures to analyze electronic charge density distributions M Solà, J Mestres, JM Oliva, M Duran, R Carbó International journal of quantum chemistry 58 (4), 361-372, 1996 | 57 | 1996 |
| Distinct Photophysics of the Isomers of B18H22 Explained MGS Londesborough, D Hnyk, J Bould, L Serrano-Andres, V Sauri, ... Inorganic Chemistry 51 (3), 1471-1479, 2012 | 54 | 2012 |
| Tuning the Photophysical Properties of anti-B18H22: Efficient Intersystem Crossing between Excited Singlet and Triplet States in New 4, 4′-(HS) 2-anti-B18H20. V Saurí, JM Oliva, D Hnyk, J Bould, J Braborec, M Merchan, P Kubat, ... Inorganic Chemistry 52 (16), 9266-9274, 2013 | 41 | 2013 |
| Solid phases of phosphorus carbide: An ab initio study F Claeyssens, JN Hart, NL Allan, JM Oliva Physical Review B 79 (13), 134115, 2009 | 39 | 2009 |
| On the Low‐Lying Excited States of sym‐Triazine‐Based Herbicides JM Oliva, MEDG Azenha, HD Burrows, R Coimbra, JS Seixas de Melo, ... ChemPhysChem 6 (2), 306-314, 2005 | 35 | 2005 |
| Study of the electronic states of the allyl radical using spin-coupled valence bond theory JM Oliva, J Gerratt, DL Cooper, PB Karadakov, M Raimondi The Journal of chemical physics 106 (9), 3663-3672, 1997 | 34 | 1997 |
| Design of Carborane Molecular Architectures via Electronic Structure Computations JM Oliva, L Serrano-Andrés, DJ Klein, PR Schleyer, J Michl International Journal of Photoenergy 2009, 2009 | 33 | 2009 |
| Design of carborane molecular architectures with electronic structure computations: From endohedral and polyradical systems to multidimensional networks JM Oliva, DJ Klein, PR Schleyer, L Serrano-Andrés Pure and Applied Chemistry 81 (4), 719-729, 2009 | 33 | 2009 |
| Binary twinned-icosahedral [B 21 H 18]− interacts with cyclodextrins as a precedent for its complexation with other organic motifs SM Eyrilmez, E Bernhardt, JZ Dávalos, M Lepšík, P Hobza, KI Assaf, ... Physical Chemistry Chemical Physics 19 (19), 11748-11752, 2017 | 32 | 2017 |
| What Electronic Structures and Geometries of Carborane Mono- and ortho-, meta-, and para-Diradicals are Preferred? L Serrano-Andrés, DJ Klein, PR Schleyer, JM Oliva Journal of Chemical Theory and Computation 4 (8), 1338-1347, 2008 | 31 | 2008 |
| Analysis of the changes on the potential energy surface of Menshutkin reactions induced by external perturbations X Fradera, L Amat, M Torrent, J Mestres, P Constans, E Besalú, J Martí, ... Journal of Molecular Structure: THEOCHEM 371, 171-183, 1996 | 31 | 1996 |
| Theoretical study of dielectrically coated metallic nanowires JM Oliva, SK Gray Chemical physics letters 379 (3-4), 325-331, 2003 | 28 | 2003 |
Ibon Alkorta(ORCID:0000-0001-6876-...Instituto de Química Médica (CSIC)Verified email at iqm.csic.es
