Electronic and structural distortions in graphene induced by carbon vacancies and boron doping R Faccio, L Fernández-Werner, H Pardo, C Goyenola, ON Ventura, ... The Journal of Physical Chemistry C 114 (44), 18961-18971, 2010 | 180 | 2010 |
Quantum model of catalysis based on a mobile proton revealed by subatomic x-ray and neutron diffraction studies of h-aldose reductase MP Blakeley, F Ruiz, R Cachau, I Hazemann, F Meilleur, A Mitschler, ... Proceedings of the National Academy of Sciences 105 (6), 1844-1848, 2008 | 96 | 2008 |
Acidity of hydroxamic acids: an ab initio and semiempirical study ON Ventura, JB Rama, L Turi, JJ Dannenberg Journal of the American Chemical Society 115 (13), 5754-5761, 1993 | 96 | 1993 |
Tautomeric forms of 2-thiobarbituric acid as studied in the solid, in polar solutions, and on gold nanoparticles E Mendez, MF Cerdá, JS Gancheff, J Torres, C Kremer, J Castiglioni, ... The Journal of Physical Chemistry C 111 (8), 3369-3383, 2007 | 82 | 2007 |
Density functional study of technetium and rhenium compounds J Gancheff, C Kremer, E Kremer, ON Ventura Journal of Molecular Structure: THEOCHEM 580 (1-3), 107-116, 2002 | 70 | 2002 |
Theoretical study of reaction mechanisms for the ketonization of vinyl alcohol in gas phase and aqueous solution ON Ventura, A Lledós, R Bonaccorsi, J Bertrán, J Tomasi Theoretica chimica acta 72, 175-195, 1987 | 68 | 1987 |
Gas-phase structure and acidity of formohydroxamic acid and formamide: a comparative ab initio study ON Ventura, JB Rama, L Turi, JJ Dannenberg The Journal of Physical Chemistry 99 (1), 131-136, 1995 | 65 | 1995 |
Complete basis set and density functional determination of the enthalpy of formation of the controversial HO3 radical: a discrepancy between theory and experiment PA Denis, M Kieninger, ON Ventura, RE Cachau, GHF Diercksen Chemical physics letters 365 (5-6), 440-449, 2002 | 62* | 2002 |
Density functional investigation of atmospheric sulfur chemistry. I. Enthalpy of formation of HSO and related molecules PA Denis, ON Ventura International Journal of Quantum Chemistry 80 (3), 439-453, 2000 | 55 | 2000 |
The FO2 radical: a new success of density functional theory ON Ventura, M Kieninger Chemical physics letters 245 (4-5), 488-497, 1995 | 55 | 1995 |
Density functional study of the decomposition pathways of nitroethane and 2-nitropropane PA Denis, ON Ventura, HT Le, MT Nguyen Physical Chemistry Chemical Physics 5 (9), 1730-1738, 2003 | 52 | 2003 |
Analysis of the gas‐phase addition of water to formaldehyde: A semiempirical and ab initio study of bifunctional catalysis by H2O ON Ventura, EL CoitiñO, A Lledós, J Bertran Journal of computational chemistry 13 (9), 1037-1046, 1992 | 52 | 1992 |
AM1 study of hydrogen bonded complexes of water ON Ventura, EL Coitiño, A Lledós, J Berteán Journal of Molecular Structure: THEOCHEM 187, 55-68, 1989 | 50 | 1989 |
Density functional investigation of atmospheric sulfur chemistry II. The heat of formation of the XSO2 radicals X= H, CH3 PA Denis, ON Ventura Chemical physics letters 344 (1-2), 221-228, 2001 | 48 | 2001 |
Importance of water in aldol condensation reactions of acetaldehyde EL Coitiño, J Tomasi, ON Ventura Journal of the Chemical Society, Faraday Transactions 90 (12), 1745-1755, 1994 | 48 | 1994 |
Molecular orbital study of the structures of hydroxamic acids L Turi, JJ Dannenberg, J Rama, ON Ventura The Journal of Physical Chemistry 96 (9), 3709-3712, 1992 | 44 | 1992 |
Density functional investigations of carboxyl free radicals: Formyloxyl, acetyloxyl, and benzoyloxyl radicals M Kieninger, ON Ventura, S Suhai International journal of quantum chemistry 70 (2), 253-267, 1998 | 41 | 1998 |
Theoretical study of the addition of hydrogen halides to olefins: reaction of dimeric hydrogen fluoride with ethylene C Clavero, M Duran, A Lledos, ON Ventura, J Bertran Journal of the American Chemical Society 108 (5), 923-928, 1986 | 41 | 1986 |
Theoretical studies of hydrogen-bonded complexes using semiempirical methods EL Coitiño, K Irving, J Rama, A Iglesias, M Paulino, ON Ventura Journal of Molecular Structure: THEOCHEM 210, 405-426, 1990 | 40 | 1990 |
Use of bibliometric information to assist research policy making. A comparison of publication and citation profiles of Full and Associate Professors at a School of Chemistry in … ON Ventura, AW Mombrú Scientometrics 69 (2), 287-313, 2006 | 39 | 2006 |