Pablo Jaque

Characterization of copper clusters through the use of density functional theory reactivity descriptors

Pablo Jaque, Alejandro Toro‐Labbé · The Journal of Chemical Physics · 2002 · 198 citations · Full text

Materials Science, Inorganic Chemistry, Cluster Science +14

The reaction force: Three key points along an intrinsic reaction coordinate

Peter Politzer, Alejandro Toro‐Labbé, Soledad Gutiérrez‐Oliva et al. · Journal of Chemical Sciences · 2005 · 154 citations · Full text

Engineering, Intrinsic Reaction Coordinate, Physics +12

Validity of the Minimum Polarizability Principle in Molecular Vibrations and Internal Rotations:  An ab Initio SCF Study

Pratim Kumar Chattaraj, Patricio Fuentealba, Pablo Jaque et al. · The Journal of Physical Chemistry A · 1999 · 133 citations · Full text

Engineering, Magnetic Resonance, Computational Chemistry +20

Computational Electrochemistry: The Aqueous Ru³⁺|Ru²⁺ Reduction Potential

Pablo Jaque, Aleksandr V. Marenich, Christopher J. Cramer et al. · The Journal of Physical Chemistry C · 2007 · 131 citations

Materials Science, Inorganic Chemistry, Computational Electrochemistry +15

Theoretical Study of the Double Proton Transfer in the CHX−XH···CHX−XH (X = O, S) Complexes

Pablo Jaque, Alejandro Toro‐Labbé · The Journal of Physical Chemistry A · 2000 · 120 citations · Full text

Theoretical Study, Bimolecular Complexes, Biochemistry +15