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Oscar N. Ventura
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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
1612010
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
932008
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
881993
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
752007
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
692002
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
671987
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
631995
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
522003
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
522000
The FO2 radical: a new success of density functional theory
ON Ventura, M Kieninger
Chemical physics letters 245 (4-5), 488-497, 1995
521995
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
521992
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
521989
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
492001
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
451994
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
431992
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
421986
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
411990
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
391998
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
361999
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