Comparison of NDDO and Quasi-Ab Initio Approaches to Compute Semiempirical Molecular Electrostatic Potentials. - Cristóbal Alhambra; Francisco Javier Luque; Modesto Orozco (J. Comput. Chem., 1994)

Hydrogen-bonding interactions in the active site of a low molecular weight protein-tyrosine phosphatase. - Cristóbal Alhambra; Jiali Gao (J. Comput. Chem., 2000)

Hydride transfer catalyzed by xylose isomerase: Mechanism and quantum effects. - Mireia Garcia-Viloca; Cristóbal Alhambra; Donald G. Truhlar; Jiali Gao (J. Comput. Chem., 2003)