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ORCIDJosé M. Lluch
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Journal Articles
- 2014
[j13]Ayax Pérez-Gallegos, Mireia Garcia-Viloca
, Àngels González-Lafont, José M. Lluch:
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. 28(11): 1077-1091 (2014)- 2011
- [j12]Lea Toledo, Laura Masgrau, José M. Lluch, Àngels González-Lafont:
Substrate binding to mammalian 15-lipoxygenase. J. Comput. Aided Mol. Des. 25(9): 825-835 (2011) - [j11]Juan Manuel Ramírez-Anguita, Àngels González-Lafont, José M. Lluch:
Variational transition-state theory study of the rate constant of the DMS·OH scavenging reaction by O2. J. Comput. Chem. 32(10): 2104-2118 (2011) - 2009
- [j10]Juan Manuel Ramírez-Anguita, Àngels González-Lafont, José M. Lluch:
Formation pathways of DMSO from DMS-OH in the presence of O2 and NOx: A theoretical study. J. Comput. Chem. 30(2): 173-182 (2009) - [j9]Juan Manuel Ramírez-Anguita, Àngels González-Lafont, José M. Lluch:
Formation pathways of DMSO2 in the addition channel of the OH-initiated DMS oxidation: A theoretical study. J. Comput. Chem. 30(9): 1477-1489 (2009) - 2007
- [j8]Manuel Montenegro, Mireia Garcia-Viloca, Àngels González-Lafont, José M. Lluch:
Comparative study of the prereactive protein kinase A Michaelis complex with Kemptide substrate. J. Comput. Aided Mol. Des. 21(10-11): 603-615 (2007) - [j7]Ismael Tejero, Àngels González-Lafont, José M. Lluch:
A PM3/d specific reaction parameterization for iron atom in the hydrogen abstraction catalyzed by soybean lipoxygenase-1. J. Comput. Chem. 28(6): 997-1005 (2007) - 2005
- [j6]Núria González-García, Àngels González-Lafont, José M. Lluch:
Electronic structure study of the initiation routes of the dimethyl sulfide oxidation by OH. J. Comput. Chem. 26(6): 569-583 (2005) - 2004
- [j5]Ricard Casadesús, Miquel Moreno, Àngels González-Lafont, José M. Lluch, Matthew P. Repasky:
Testing electronic structure methods for describing intermolecular H · · · H interactions in supramolecular chemistry. J. Comput. Chem. 25(1): 99-105 (2004) - 2003
- [j4]Laura Masgrau, Àngels González-Lafont, José M. Lluch:
Dependence of the rate constants on the treatment of internal rotation modes: The reaction OH + CH3SH CH3S + H2O as an example. J. Comput. Chem. 24(6): 701-706 (2003) - 2000
- [j3]Jordi Villá, Jörg Bentzien, Àngels González-Lafont, José M. Lluch, Juan Bertrán, Arieh Warshel:
Effective way of modeling chemical catalysis: Empirical valence bond picture of role of solvent and catalyst in alkylation reactions. J. Comput. Chem. 21(8): 607-625 (2000) - 1999
- [j2]Laura Masgrau, Àngels González-Lafont, José M. Lluch:
Effect of a complex formation on the calculated low-pressure rate constant of a bimolecular gas-phase reaction governed by tunneling. J. Comput. Chem. 20(16): 1685-1692 (1999) - 1994
- [j1]Ricard Gelabert, Miquel Moreno, José M. Lluch:
Applicability of the WKB Method in Asymmetric Double Wells with Degenerate and Nondegenerate Minima. J. Comput. Chem. 15(2): 125-131 (1994)
Coauthor Index
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