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Pressure Dependence in the Methyl Vinyl Ketone+OH and Methacrolein+OH Oxidation Reactions: An Electronic Structure Study.
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- ChemPhysChem, 2005, v. 6, n. 8, p. 1567, doi. 10.1002/cphc.200500115
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- Article
Ab Initio Study on the Mechanism of the Atmospheric Reaction OH+O<sub>3</sub>→HO<sub>2</sub>+O<sub>2</sub>.
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- ChemPhysChem, 2003, v. 4, n. 8, p. 843
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- Article
An Ab Initio Study on the Mechanism of the Atmospheric Reaction NH<sub>2</sub>+O<sub>3</sub>→H<sub>2</sub>NO+O<sub>2</sub>.
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- ChemPhysChem, 2003, v. 4, n. 4, p. 366
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- Article
Is the CH<sub>2</sub>OH + O<sub>2</sub> → CH<sub>2</sub> = O + HO<sub>2</sub> Reaction Barrierless? An Ab Initio Study on the Reaction Mechanism.
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- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2006, v. 116, n. 4/5, p. 637, doi. 10.1007/s00214-006-0109-1
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- Article
Methyl Vinyl Ketone+OH and Methacrolein+OH Oxidation Reactions: A Master Equation Analysis of the Pressure- and Temperature-Dependent Rate Constants.
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- Chemistry - A European Journal, 2007, v. 13, n. 4, p. 1180, doi. 10.1002/chem.200600529
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- Article
Ab initio study of the mechanism of the atmospheric reaction: NO<sub>2</sub> + O<sub>3</sub> → NO<sub>3</sub> + O<sub>2</sub>.
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- Journal of Computational Chemistry, 2003, v. 24, n. 13, p. 1657
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- Article
A theoretical ab initio study on the H<sub>2</sub>NO + O<sub>3</sub> reaction.
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- Journal of Computational Chemistry, 2003, v. 24, n. 11, p. 1321
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- Article
New dimension indices for the characterization of the solvent-accessible surface.
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- Journal of Computational Chemistry, 2001, v. 22, n. 5, p. 477, doi. 10.1002/1096-987X(20010415)22:5<477::AID-JCC1019>3.0.CO;2-J
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- Article
Theoretical study of the formation reaction of the methyl vinyl ketone: A conformational approach.
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- International Journal of Quantum Chemistry, 2005, v. 105, n. 5, p. 518, doi. 10.1002/qua.20723
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- Article