Effect of a complex formation on the calculated low-pressure rate constant of a bimolecular gas-phase reaction governed by tunneling. - Laura Masgrau; Àngels González-Lafont; José M. Lluch (J. Comput. Chem., 1999)

Dependence of the rate constants on the treatment of internal rotation modes: The reaction OH + CH3SH CH3S + H2O as an example. - Laura Masgrau; Àngels González-Lafont; José M. Lluch (J. Comput. Chem., 2003)

Substrate binding to mammalian 15-lipoxygenase. - Lea Toledo; Laura Masgrau; José M. Lluch; Àngels González-Lafont (J. Comput. Aided Mol. Des., 2011)