Oscar N. Ventura

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Martina KieningerCCBG, Detema, Facultad de Química, Universidad de la RepúblicaVerified email at fq.edu.uy
Raul CachauDirector Structural BiochemistryVerified email at nih.gov
Pablo A. Denis, FRSCResearcher, Facultad de Quimica, Universidad de la Repulica Oriental del UruguayVerified email at fq.edu.uy
E. Laura CoitiñoProf. de Química Teórica&Computacional, Instituto de Quím. Biológica-Fac.Ciencias, UdelaRVerified email at fcien.edu.uy
Agusti LledosProfessor, Dep. Quimica, Universitat Autonoma de BarcelonaVerified email at uab.cat
Marc SegoviaFacultad de Quimica, Universidad de la Republica, Montevideo, UruguayVerified email at fq.edu.uy
Patricia Saenz MéndezAssociate Professor of Chemistry, Karlstads UniversitetVerified email at kau.se
Alvaro MombrúFacultad de Química. Universidad de la República. UruguayVerified email at fq.edu.uy
Zoi SaltaPost Doc Researcher at Scuola Normale SuperioreVerified email at sns.it
László TúriProfessor of Chemistry, Eötvös Loránd UniversityVerified email at chem.elte.hu
Joseph DannenbergProfessor of Chemistry (Emeritus), City University of NY - Hunter College and the Graduate SchoolVerified email at hunter.cuny.edu
Vincenzo BaroneProfessore di Chimica Teorica e Computazionale Scuola Normale SuperioreVerified email at sns.it
Miquel DuranInstitute of Computational Chemistry and Department of Chemistry, University of Girona (UdG)Verified email at udg.edu
Alberto Daniel PodjarnyDr. en Física, UNLPVerified email at fisica.unlp.edu.ar
Helena PardoProfesora Agregada de la Cátedra de Física, Facultad de Química, UdelaRVerified email at fq.edu.uy
Alexandra Cousido-SiahIGBMCVerified email at igbmc.fr
Ricardo FaccioFacultad de Química. Universidad de la República. UruguayVerified email at fq.edu.uy
Leopoldo SuescunCryssmat-Lab/DETEMA, Facultad de Química, Universidad de la República, Montevideo, UruguayVerified email at fq.edu.uy
Aline KatzFacultad de Química, UdelaRVerified email at fq.edu.uy
Flora MeilleurNorth Carolina State University & Oak Ridge National LaboratoryVerified email at ncsu.edu

Oscar N. Ventura

CCBG, Detema, Facultad de Química, Universidad de la República

Verified email at fq.edu.uy - Homepage

Reactividad química DFT Coupled-Cluster Química computacional Química ambiental y atmosférica


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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	161	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	93	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	88	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	75	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	69	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 (3), 175-195, 1987	67	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	63	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	61*	2002
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
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	52	2000
The FO2 radical: a new success of density functional theory ON Ventura, M Kieninger Chemical physics letters 245 (4-5), 488-497, 1995	52	1995
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	52	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	49	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	45	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	43	1992
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	42	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	41	1990
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	39	1998
Density Functional Theory Is More Accurate Than Coupled-Cluster Theory in the Study of the Thermochemistry of Species Containing the F− O Bond ON Ventura, M Kieninger, RE Cachau The Journal of Physical Chemistry A 103 (1), 147-151, 1999	36	1999

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