José M. Lluch
Orcid: 0000-0002-7536-1869
According to our database1,
José M. Lluch
authored at least 13 papers
between 1994 and 2014.
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Bibliography
2014
A QM/MM study of the associative mechanism for the phosphorylation reaction catalyzed by protein kinase A and its D166A mutant.
J. Comput. Aided Mol. Des., 2014
2011
Variational transition-state theory study of the rate constant of the DMS·OH scavenging reaction by O<sub>2</sub>.
J. Comput. Chem., 2011
2009
Formation pathways of DMSO<sub>2</sub> in the addition channel of the OH-initiated DMS oxidation: A theoretical study.
J. Comput. Chem., 2009
Formation pathways of DMSO from DMS-OH in the presence of O<sub>2</sub> and NO<sub>x</sub>: A theoretical study.
J. Comput. Chem., 2009
2007
A PM3/d specific reaction parameterization for iron atom in the hydrogen abstraction catalyzed by soybean lipoxygenase-1.
J. Comput. Chem., 2007
Comparative study of the prereactive protein kinase A Michaelis complex with Kemptide substrate.
J. Comput. Aided Mol. Des., 2007
2005
Electronic structure study of the initiation routes of the dimethyl sulfide oxidation by OH.
J. Comput. Chem., 2005
2004
Testing electronic structure methods for describing intermolecular H · · · H interactions in supramolecular chemistry.
J. Comput. Chem., 2004
2003
Dependence of the rate constants on the treatment of internal rotation modes: The reaction OH + CH3SH CH3S + H2O as an example.
J. Comput. Chem., 2003
2000
Effective way of modeling chemical catalysis: Empirical valence bond picture of role of solvent and catalyst in alkylation reactions.
J. Comput. Chem., 2000
1999
Effect of a complex formation on the calculated low-pressure rate constant of a bimolecular gas-phase reaction governed by tunneling.
J. Comput. Chem., 1999
1994
Applicability of the WKB Method in Asymmetric Double Wells with Degenerate and Nondegenerate Minima.
J. Comput. Chem., 1994