Cristóbal Alhambra

A Generalized Hybrid Orbital (GHO) Method for the Treatment of Boundary Atoms in Combined QM/MM Calculations

Jiali Gao, Patricia Amara, Cristóbal Alhambra et al. · The Journal of Physical Chemistry A · 1998 · 494 citations

Engineering, Computational Chemistry, Chemistry +24

Canonical Variational Theory for Enzyme Kinetics with the Protein Mean Force and Multidimensional Quantum Mechanical Tunneling Dynamics. Theory and Application to Liver Alcohol Dehydrogenase

Cristóbal Alhambra, J. C. Corchado, M. Luz Sánchez et al. · The Journal of Physical Chemistry B · 2001 · 188 citations

Quantum Dynamic, Engineering, Molecular Biology +18

Quantum Dynamics of Hydride Transfer in Enzyme Catalysis

Cristóbal Alhambra, J. C. Corchado, M. Luz Sánchez et al. · Journal of the American Chemical Society · 2000 · 182 citations

Engineering, Computational Chemistry, Chemistry +22

Quantum Mechanical Dynamical Effects in an Enzyme-Catalyzed Proton Transfer Reaction

Cristóbal Alhambra, Jiali Gao, J. C. Corchado et al. · Journal of the American Chemical Society · 1999 · 134 citations

Engineering, Biochemistry, Bioenergetics +15

Ensemble‐averaged variational transition state theory with optimized multidimensional tunneling for enzyme kinetics and other condensed‐phase reactions

Donald G. Truhlar, Jiali Gao, Mireia Garcia‐Viloca et al. · International Journal of Quantum Chemistry · 2004 · 128 citations

Free Energy, Engineering, Proton-coupled Electron Transfer +25