José M. Lluch

2009
9	EE	Juan M. 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. Journal of Computational Chemistry 30(2): 173-182 (2009)
8	EE	Juan M. 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. Journal of Computational Chemistry 30(9): 1477-1489 (2009)
2007
7	EE	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. Journal of Computational Chemistry 28(6): 997-1005 (2007)
2005
6	EE	Núria González-García, Àngels González-Lafont, José M. Lluch: Electronic structure study of the initiation routes of the dimethyl sulfide oxidation by OH. Journal of Computational Chemistry 26(6): 569-583 (2005)
2004
5	EE	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. Journal of Computational Chemistry 25(1): 99-105 (2004)
2003
4	EE	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. Journal of Computational Chemistry 24(6): 701-706 (2003)
2000
3	EE	Jordi Villá, Jörg Bentzien, Àngels González-Lafont, José M. Lluch, Juan Bertran, Arieh Warshel: Effective way of modeling chemical catalysis: Empirical valence bond picture of role of solvent and catalyst in alkylation reactions. Journal of Computational Chemistry 21(8): 607-625 (2000)
1999
2	EE	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. Journal of Computational Chemistry 20(16): 1685-1692 (1999)
1994
1		Ricard Gelabert, Miquel Moreno, José M. Lluch: Applicability of the WKB Method in Asymmetric Double Wells with Degenerate and Nondegenerate Minima. Journal of Computational Chemistry 15(2): 125-131 (1994)

Coauthor Index

1	Jörg Bentzien	[3]
2	Juan Bertran	[3]
3	Ricard Casadesús	[5]
4	Ricard Gelabert	[1]
5	Núria González-García	[6]
6	Àngels González-Lafont	[2] [3] [4] [5] [6] [7] [8] [9]
7	Laura Masgrau	[2] [4]
8	Miquel Moreno	[1] [5]
9	Juan M. Ramírez-Anguita	[8] [9]
10	Matthew P. Repasky	[5]
11	Ismael Tejero	[7]
12	Jordi Villá	[3]
13	Arieh Warshel	[3]