Á. J. Pérez‐Jiménez

Communication: Double-hybrid functionals from adiabatic-connection: The QIDH model

Éric Brémond, Á. J. Pérez‐Jiménez, Carlo Adamo · The Journal of Chemical Physics · 2014 · 225 citations · Full text

Exchange-correlation Functionals, Quantum Science, Qidh Model +15

Benchmarking Density Functionals on Structural Parameters of Small-/Medium-Sized Organic Molecules

Éric Brémond, Marika Savarese, Neil Qiang Su et al. · Journal of Chemical Theory and Computation · 2016 · 218 citations

Exchange-correlation Functionals, Error Analysis, Engineering +12

First-principles approach to electrical transport in atomic-scale nanostructures

J. J. Palacios, Á. J. Pérez‐Jiménez, E. Louis et al. · Physical review. B, Condensed matter · 2002 · 201 citations · Full text

Engineering, Versatile Gaussian98 Code, Computational Chemistry +17

First-Principles Phase-Coherent Transport in Metallic Nanotubes with Realistic Contacts

J. J. Palacios, Á. J. Pérez‐Jiménez, E. Louis et al. · Physical Review Letters · 2003 · 170 citations · Full text

Fullerene-based molecular nanobridges: A first-principles study

J. J. Palacios, Á. J. Pérez‐Jiménez, E. Louis et al. · Physical review. B, Condensed matter · 2001 · 144 citations · Full text

Engineering, Fullerene-based Molecular Nanobridges, Computational Chemistry +22