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Journal of Computational Chemistry|April 1, 2003
Dependence of the rate constants on the treatment of internal rotation modes: the reaction OH + CH3SH --> CH3S + H2O as an exampleLaura Masgrau, Angels González-Lafont, José M LluchJournal of Computational Chemistry|February 3, 2007
A PM3/d specific reaction parameterization for iron atom in the hydrogen abstraction catalyzed by soybean lipoxygenase-1Ismael Tejero, Angels González-Lafont, José M LluchThe Journal of Physical Chemistry. A|January 13, 2006
Variational transition-state theory study of the dimethyl sulfoxide (DMSO) and OH reactionNúria González-García, Angels González-Lafont, José M LluchJournal of Computational Chemistry|February 24, 2005
Electronic structure study of the initiation routes of the dimethyl sulfide oxidation by OHNúria González-García, Angels González-Lafont, José M LluchChemphyschem : a European Journal of Chemical Physics and Physical Chemistry|December 22, 2006
Kinetic study on the reaction of OH radical with dimethyl sulfide in the absence of oxygenNúria González-García, Angels González-Lafont, José M LluchJournal of Computational Chemistry|June 21, 2008
Formation pathways of DMSO from DMS-OH in the presence of O(2) and NO(x): A theoretical studyJuan M Ramírez-Anguita, Angels González-Lafont, José M LluchThe Journal of Physical Chemistry. B|March 19, 2013
An insight into the regiospecificity of linoleic acid peroxidation catalyzed by mammalian 15-lipoxygenasesReynier Suardíaz, Laura Masgrau, José M Lluch, et al.Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry|April 23, 2014
Regio- and stereospecificity in the oxygenation of arachidonic acid catalyzed by Leu597 mutants of rabbit 15-lipoxygenase: a QM/MM studyReynier Suardíaz, Laura Masgrau, José M Lluch, et al.The Journal of Organic Chemistry|January 18, 2005
A theoretical study of the competitive homolytic/heterolytic aniomesolytic cleavages of C-O alkyl ether bondsXavier Asensio, Angels González-Lafont, Jordi Marquet, et al.Journal of Computational Chemistry|December 17, 2008
Formation pathways of DMSO(2) in the addition channel of the OH-initiated DMS oxidation: A theoretical studyJuan M Ramírez-Anguita, Angels González-Lafont, José M LluchPageof 3