X. Grabuleda

Estimation of the lipase PS (Pseudomonas cepacia) active site dimensions based on molecular mechanics calculations

Á. Guerrero, C. Jaime, X. Grabuleda, 1997 .

Configurational and conformational NMR study of enantiopure 2,2‐dimethyl‐1‐(1‐naphthyl)propanol via its carbamate derivatives

C. Jaime, A. Virgili, A. Alvarez-Larena, 1999 .

The Diels-Alder cycloaddition reaction of some substituted furans and E-1,2-bis(phenylsulfonyl)ethylene

C. Jaime, O. Arjona, F. Iradier, 1998 .

Molecular dynamics simulation studies of liquid acetonitrile: New six‐site model

Peter A. Kollman, Xavier Grabuleda, P. Kollman, 2000, J. Comput. Chem..

Mg@C72 MNDO/d evaluation of the isomeric composition.

S. Nagase, Z. Slanina, F. Uhlík, 2001, Journal of molecular graphics & modelling.

Shuttling Process in [2]Rotaxanes. Modeling by Molecular Dynamics and Free Energy Perturbation Simulations

Petko M. Ivanov, Carlos Jaime, Xavi Grabuleda, 2003 .

Computational studies on pseudorotaxanes by molecular dynamics and free energy perturbation simulations.

Carlos Jaime, Xavi Grabuleda, C. Jaime, 2003, The Journal of organic chemistry.

Molecular Shuttles. A Computational Study (MM and MD) on the Translational Isomerism in Some [2]Rotaxanes

C. Jaime, X. Grabuleda, C. Jaime, 1998 .